(4S)-5-[[(2S)-1-[[(2S)-1-[2-[3-(2-azanyl-3-phenyl-propanoyl)oxiran-2-yl]carbonylhydrazinyl]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: (4S)-5-[[(2S)-1-[[(2S)-1-[2-[3-(2-azanyl-3-phenyl-propanoyl)oxiran-2-yl]carbonylhydrazinyl]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (4S)-5-[[(1S)-1-[[(1S)-1-[[[3-(2-amino-3-phenyl-propanoyl)oxirane-2-carbonyl]amino]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-2-methyl-propyl]amino]-4-(benzyloxycarbonylamino)-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[[3-(2-amino-1-oxo-3-phenylpropyl)-2-oxiranyl]-oxomethyl]hydrazo]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-1-[2-[3-(2-amino-3-phenylpropanoyl)oxirane-2-carbonyl]hydrazinyl]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (4S)-4-(benzyloxycarbonylamino)-5-[[(1S)-1-[[(1S)-3-hydroxy-3-keto-1-[[(3-phenylalanyloxirane-2-carbonyl)amino]carbamoyl]propyl]carbamoyl]-2-methyl-propyl]amino]-5-keto-valeric acid Formula: C34H42N6O12 MolecularWeight: 726.73028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)NNC(=O)C1C(O1)C(=O)C(CC2=CC=CC=C2)N)NC(=O)C(CCC(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NNC(=O)C1C(O1)C(=O)C(CC2=CC=CC=C2)N)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C34H42N6O12/c1-18(2)26(38-30(46)22(13-14-24(41)42)37-34(50)51-17-20-11-7-4-8-12-20)32(48)36-23(16-25(43)44)31(47)39-40-33(49)29-28(52-29)27(45)21(35)15-19-9-5-3-6-10-19/h3-12,18,21-23,26,28-29H,13-17,35H2,1-2H3,(H,36,48)(H,37,50)(H,38,46)(H,39,47)(H,40,49)(H,41,42)(H,43,44)/t21?,22-,23-,26-,28?,29?/m0/s1