This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Rupintrivir

PubChem CID: 6440352

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms Rupintrivir, 223537-30-2, ag7088, Ruprintrivir, Rupintrivir-d4, AG-7088, AG 7088, RGE5K1Q5QW, Rupintrivir [USAN:INN], Rupintrivir [USAN], RUPINTRIVIR [INN], CHEMBL20210, DTXSID201028116, ethyl (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate, ethyl-3-((5'-methylisoxazole-3'-carbonyl)-Valpsi(COCH2)Phe(4-F)-(pyrrol-Ala))propenoate, (trans-(4S,2'R,5'S,3''S)-4-(2'-4-(4-fluorobenzyl)-6'-methyl-5'-((5''-methylisoxazole)-3''-carbonylamino)-4-oxoheptanoylamino))-5-(2''-oxopyrrolidin-3'''-yl)pent-2-enoic acid ethyl ester, 2-Pentenoic acid, 4-(((2R,5S)-2-((4-fluorophenyl)methyl)-6-methyl-5-(((5-methyl-3-isoxazolyl)carbonyl)amino)-1,4-dioxoheptyl)amino)-5-((3S)-2-oxo-3-pyrrolidinyl)-, ethylester, (2E,4S)-, 2-Pentenoic acid, 4-(((2R,5S)-2-((4-fluorophenyl)methyl)-6-methyl-5-(((5-methyl-3-isoxazolyl)carbonyl)amino)-1,4-dioxoheptyl)amino)-5-((3S)-2-oxo-3-pyrrolidinyl)-, ethyl ester, (2E,4S)-, Ethyl (2E,4S)-4-(((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-(((5-methylisoxazol-3-yl)carbonyl)amino)-4-oxoheptanoyl)amino)-5-((3S)-2-oxopyrrolidin-3-yl)pent-2-enoate, ethyl (S,E)-4-((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-(5-methylisoxazole-3-carboxamido)-4-oxoheptanamido)-5-((S)-2-oxopyrrolidin-3-yl)pent-2-enoate, UNII-RGE5K1Q5QW, rupintrivirum, (2E,4S)-4-[[(2R,5S)-2-[(4-Fluorophenyl)methyl]-6-methyl-5-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-1,4-dioxoheptyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid, AG 7088, , (2E,4S)-4-[[(2R,5S)-2-[(4-Fluorophenyl)methyl]-6-methyl-5-[[(5-methyl-3-isoxazolyl-d4)carbonyl]amino]-1,4-dioxoheptyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid, AG 7088-d4, , (S,E)-ethyl 4-((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-(5-methylisoxazole-3-carboxamido)-4-oxoheptanamido)-5-((S)-2-oxopyrrolidin-3-yl)pent-2-enoate, 4-(2-(4-Fluoro-benzyl)-7-methyl-5-((5-methyl-isoxazole-3-carbonyl)-amino)-4-oxo-octanoylamino)-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester (AG7088), 4-{2-(4-Fluoro-benzyl)-7-methyl-5-[(5-methyl-isoxazole-3-carbonyl)-amino]-4-oxo-octanoylamino}-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester (AG7088), ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methylisoxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate, Ethyl (2E,4S)-4-[[(2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-[[(5-methylisoxazol-3-yl)carbonyl]amino]-4-oxoheptanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate, Rupintrivir (USAN/INN), SCHEMBL141565, SCHEMBL25251760, BDBM11243, DTXCID101513693, 223537-30-2 (unlabeled), EX-A8862, AKOS022183380, AT25670, DB05102, NCGC00346443-02, 4-(((2R,5S)-2-((4-fluorophenyl)methyl)-6-methyl-5-(((5-methyl-3-isoxazolyl)carbonyl)amino)-1,4-dioxoheptyl)amino)-5-((3S)-2-oxo-3-pyrrolidinyl)-, ethyl ester, (2E,4S)-2-pentenoic acid, ethyl (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methylisoxazole-3-carbonyl)amino]-4-oxo-heptanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate, FR175260, MS-30602, HY-106161, CS-0025036, NS00069574, D05776, Q27095569, (E)-(S)-4-{(2R,5S)-2-(4-Fluoro-benzyl)-6-methyl-5-[(5-methyl-isoxazole-3-carbonyl)-amino]-4-oxo-heptanoylamino}-5-((S)-2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester, (S,E)-ethyl4-((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-(5-methylisoxazole-3-carboxamido)-4-oxoheptanamido)-5-((S)-2-oxopyrrolidin-3-yl)pent-2-enoate, 2-Pentenoicacid,4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-1,4-dioxoheptyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-, ethyl ester, (2E,4S)-, ethyl (2E,4S)-4-[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazol-3-yl)formamido]-4-oxoheptanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Topological Polar Surface Area 157.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 43.0
Isotope Atom Count 0.0
Molecular Complexity 1010.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 4.0
Iupac Name ethyl (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Prediction Hob 1.0
Xlogp 3.1
Molecular Formula C31H39FN4O7
Prediction Swissadme 0.0
Inchi Key CAYJBRBGZBCZKO-BHGBQCOSSA-N
Fcsp3 0.4838709677419355
Logs -3.686
Rotatable Bond Count 16.0
Logd 2.514
Compound Name Rupintrivir
Prediction Hob Swissadme 0.0
Exact Mass 598.28
Formal Charge 0.0
Monoisotopic Mass 598.28
Hydrogen Bond Acceptor Count 9.0
Molecular Weight 598.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 1.0
Esol -5.000468725581396
Inchi InChI=1S/C31H39FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-11,14,18,21-22,24,28H,5,12-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/b11-10+/t21-,22+,24+,28-/m0/s1
Smiles CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC2=CC=C(C=C2)F)CC(=O)[C@H](C(C)C)NC(=O)C3=NOC(=C3)C
Nring 3.0
Defined Bond Stereocenter Count 1.0

Back to Browse   Back to Home