Leupeptin
PubChem CID: 72429
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Leupeptin, 55123-66-5, Leupeptin hemisulfate, Ac-Leu-Leu-Arg-H, CHEBI:6426, Acetyl-L-leucyl-L-leucylargininal, 103476-89-7, 24365-47-7, (2S)-2-acetamido-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide, Leupeptin Ac-LL, Ac-LLR-H, J97339NR3V, LEUPEPTINS [MI], acetyl-l-leucyl-l-leucyl-l-argininal, N-acetyl-leucylleucylargininal, Ac-L-Leu-L-Leu-L-Arg-H, N-Acetyl-L-leucyl-L-leucyl-L-argininal, DTXSID1020776, acetyl-L-leucyl-L-leucyl-L-arginal, NK-381, (S)-2-(2-Acetamido-4-methylvaleramido)-N-(1-formyl-4-guanidinobutyl)-4-methyl-valeramide, Leupeptin (hemisulfate), N-acetyl-L-leucyl-N-[(2S)-5-carbamimidamido-1-oxopentan-2-yl]-L-leucinamide, L-LEUCINAMIDE, N-ACETYL-L-LEUCYL-N-((1S)-4-((AMINOIMINOMETHYL)AMINO)-1-FORMYLBUTYL)-, L-LEUCINAMIDE, N-ACETYL-L-LEUCYL-N-(4-((AMINOIMINOMETHYL)AMINO)-1-FORMYLBUTYL)-, (S)-, (S)-2-Acetamido-N-((S)-1-((S)-5-guanidino-1-oxopentan-2-ylamino)-4-methyl-1-oxopentan-2-yl)-4-methylpentanamide, MFCD00037012, Ac-Leu-Leu-Argininal, Acetyl-leucyl-leucyl-argininal, L-Leucinamide, N-acetyl-L-leucyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-formylbutyl]-, N-acetyl-L-leucyl-N-((2S)-5-carbamimidamido-1-oxopentan-2-yl)-L-leucinamide, N-Acetyl-L-leucyl-L-leucyl-L-argininal hemisulfate salt, Valeramide, 2-(2-acetamido-4-methylvaleramido)-N-(1-formyl-4-guanidinobutyl)-4-methyl-, (2S)-2-acetamido-N-((2S)-1-(((2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-4-methylpentanamide, Peptides, leupeptins, Acetyl-Leu-Leu-Arg-al, BSPBio_001195, KBioGR_000535, KBioSS_000535, DTXCID90776, SCHEMBL583830, UNII-J97339NR3V, CCRIS 3604, CHEMBL191881, KBio2_000535, KBio2_003103, KBio2_005671, KBio3_000969, KBio3_000970, L-Leucinamide, N-acetyl-L-leucyl-N-[4-[(aminoiminomethyl)amino]-1-formylbutyl]-, Bio2_000428, Bio2_000908, DTXSID001053856, HMS1362K17, HMS1792K17, HMS1990K17, HMS3403K17, EINECS 259-242-2, BDBM50213272, AKOS024456431, FL29627, IDI1_002183, N-acetyl-L-leucyl-N-[(1S)-4-{[amino(imino)methyl]amino}-1-formylbutyl]-L-leucinamide, Valeramide, 2-(2-acetamido-4-methylvaleramido)-N-(1-formyl-4-guanidinobutyl)-4-methyl- (S)-, NCGC00163460-01, NCGC00163460-02, NCGC00163460-03, AC-35848, DA-64931, HY-18234, CS-0007311, 54577-99-0, Q11350119, N-Acetyl-L-leucyl-L-leucyl-L-arginine, aldehyde deriv., Ac-Leu-Leu-Arg-H, N-Acetyl-L-leucyl-L-leucyl-L-arginine, aldehyde deriv, 259-242-2, 600-443-5, 640-991-2, 686-481-3, L-Leucinamide, N-acetyl-L-leucyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-formylbutyl]-, sulfate, Valeramide, 2-(2-acetamido-4-methylvaleramido)-N-(1-formyl-4-guanidinobutyl)-4-methyl-(S)- |
|---|---|
| Topological Polar Surface Area | 169.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 602.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | P07384, P07858, P07711, P00760, P03952, P00735, P06868, P07688, Q9N6S8, P35750, Q95WR6, P43235, Q4U254, P00747, Q8IU80, Q9Y5Y6, Q9NAW4, Q13951, H9B8T9, A0A060INS8, P09668, P00761, Q04756, P05981, P00784 |
| Iupac Name | (2S)-2-acetamido-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide |
| Prediction Hob | 0.0 |
| Target Id | NPT3579, NPT214, NPT469, NPT5075, NPT1720, NPT5079, NPT5080, NPT5085, NPT5086, NPT5087, NPT3595 |
| Xlogp | 0.4 |
| Molecular Formula | C20H38N6O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GDBQQVLCIARPGH-ULQDDVLXSA-N |
| Fcsp3 | 0.75 |
| Logs | -2.063 |
| Rotatable Bond Count | 14.0 |
| Logd | -0.126 |
| Compound Name | Leupeptin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 426.295 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 426.295 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 426.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9877844000000007 |
| Inchi | InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16-,17-/m0/s1 |
| Smiles | CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C=O)NC(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Blumea Balsamifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all