Damgo
PubChem CID: 5462471
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| Compound Synonyms | DAMGO, DAGO, 78123-71-4, glyol, Dagol, DAMGE, 2-Ala-4-mephe-5-gly-enkephalin, Tyr-ala-gly-(nme)phe-gly-ol, RX 783006, (D-Ala(2)-mephe(4)-gly-ol(5))enkephalin, (2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide, Enkephalin, ala(2)-mephe(4)-gly(5)-, CHEBI:272, CHEMBL38874, Tyr-D-Ala-Gly-MePhe-Gly-ol, Enkephalin, alanyl(2)-methylphenylalanyl(4)-glycine(5)-, 950492-85-0, [3H]DAMGO, Tyr-D-Ala-Gly-MePhe-Gly(ol), Tyr-D-Ala-Gly-NMe-Phe-Gly-ol, Tyr-D-Ala-Gly-(NMe)Phe-Gly-ol, Tyr-D-Ala-Gly-N(Me)Phe-Gly-ol, Tyr-D-Ala-Gly-N-Me-Phe-Gly-ol, Ala(2)-mephe(4)-gly-ol(5) enkephalin, Tyr-D-Ala-Gly-N-Methyl-Phe-Gly-ol, D-Ala2-MePhe4-Met(0)5-enkephalin-ol, Enkephalin, Ala(2)-MePhe(4)-Gly-ol(5)-, C26H35N5O6, H-Tyr-D-Ala-Gly-N-Me-Phe-Glycinol, [D-Ala2, NMe-Phe4, Gly-ol5]-enkephalin, 2YM5VT3MNR, RX783006, Dagol, L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(2-hydroxyethyl)-Nalpha-methyl-, Tyr-DAla-Gly-MePhe-Gly-ol, SCHEMBL725750, GTPL1647, Tyr-D-Ala-Gly-NMePhe-Gly-ol, BDBM21015, H-Tyr-D-Ala-Gly-MePhe-Gly-ol, Tyr-D-Ala2-Gly-NMePhe-Gly-ol, DTXSID30228775, HPZJMUBDEAMBFI-WTNAPCKOSA-N, HY-P0210, Tyr-D-Ala-Gly-N(CH3)Phe-Gly-ol, H-Tyr-D-Ala-Gly-N(Me)Phe-Gly-ol, HB2409, AKOS024456435, NCGC00167303-01, (2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]-methylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide, AS-83278, BD173150, BD174973, DA-72545, CS-0021316, G12226, Q5204254, [tyrosyl-3,5-3H(N)]-D-Ala2-Mephe4-glyol5-enkephalin, 3: PN: WO2009046859 PAGE: 98 CLAIMED PROTEIN, 158: PN: US20030176421 PAGE: 54-55 CLAIMED PROTEIN, L-TYROSYL-D-ALANYLGLYCYL-N-(2-HYDROXYETHYL)-N.ALPHA.-METHYL-L-PHENYLALANINAMIDE, L-Tyrosyl-D-alanylglycyl-N-(2-hydroxyethyl)-Nalpha-methyl-L-phenylalaninamide, (2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-N-methylacetamido}-N-(2-hydroxyethyl)-3-phenylpropanamide, (2S)-2-amino-N-[(1R)-2-[[2-[[(1S)-1-benzyl-2-(2-hydroxyethylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-3-(4-hydroxyphenyl)propanamide, (S)-2-amino-N-((R)-1-(2-(((S)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl)(methyl)amino)-2-oxoethylamino)-1-oxopropan-2-yl)-3-(4-hydroxyphenyl)propanamide, Benzenepropanimidic?acid, .alpha.-amino-4-hydroxy-N-[(1R,2Z)-2-hydroxy-2-[[2-[[(1S,2Z)-2-hydroxy-2-[(2-hydroxyethyl)imino]-1-(phenylmethyl)ethyl]methylamino]-2-oxoethyl]imino]-1-methylethyl]-, (.alpha.S)- |
|---|---|
| Topological Polar Surface Area | 174.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 752.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide |
| Prediction Hob | 0.0 |
| Target Id | NPT271, NPT145, NPT272, NPT4729 |
| Xlogp | 0.2 |
| Molecular Formula | C26H35N5O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HPZJMUBDEAMBFI-WTNAPCKOSA-N |
| Fcsp3 | 0.3846153846153846 |
| Logs | -1.778 |
| Rotatable Bond Count | 13.0 |
| Logd | -0.216 |
| Compound Name | Damgo |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 513.259 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 513.259 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 513.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.354589000000003 |
| Inchi | InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 |
| Smiles | C[C@H](C(=O)NCC(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)NCCO)NC(=O)[C@H](CC2=CC=C(C=C2)O)N |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stephania Japonica (Plant) Rel Props:Source_db:cmaup_ingredients