(4S)-4-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3,3-diphenyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3,3-diphenyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-amino-4-hydroxy-4-oxo-butanoyl]amino]-5-[[(1S)-1-benzhydryl-2-[[(1S,2S)-1-[[(1S)-1-(cyclohexylmethyl)-2-[[(1R)-2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-amino-4-hydroxy-1,4-dioxobutyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-3-cyclohexyl-1-[[(2R)-1-hydroxy-3-mercapto-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-3-cyclohexyl-1-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-amino-4-hydroxy-4-keto-butanoyl]amino]-5-[[(1S)-1-benzhydryl-2-[[(1S,2S)-1-[[(1S)-1-(cyclohexylmethyl)-2-[[(1R)-2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-butyl]amino]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C42H58N6O11S MolecularWeight: 855.00852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1CCCCC1)C(=O)NC(CS)C(=O)O)NC(=O)C(C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C42H58N6O11S/c1-3-24(2)35(40(56)45-30(21-25-13-7-4-8-14-25)39(55)46-31(23-60)42(58)59)47-41(57)36(34(26-15-9-5-10-16-26)27-17-11-6-12-18-27)48-38(54)29(19-20-32(49)50)44-37(53)28(43)22-33(51)52/h5-6,9-12,15-18,24-25,28-31,34-36,60H,3-4,7-8,13-14,19-23,43H2,1-2H3,(H,44,53)(H,45,56)(H,46,55)(H,47,57)(H,48,54)(H,49,50)(H,51,52)(H,58,59)/t24-,28-,29-,30-,31-,35-,36-/m0/s1