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

Systemtic Name: (4S)-4-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2R)-1-oxidanylidene-1-[(2-phenylcyclopropyl)amino]-3-sulfanyl-propan-2-yl]amino]propan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-3,3-diphenyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-5-[[(1S)-1-benzhydryl-2-[[(1S)-1-[[(1S)-1-(cyclohexylmethyl)-2-oxo-2-[[(1R)-2-oxo-2-[(2-phenylcyclopropyl)amino]-1-(sulfanylmethyl)ethyl]amino]ethyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-acetamido-4-hydroxy-1,4-dioxobutyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(2R)-3-mercapto-1-oxo-1-[(2-phenylcyclopropyl)amino]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2R)-1-oxo-1-[(2-phenylcyclopropyl)amino]-3-sulfanylpropan-2-yl]amino]propan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-keto-butanoyl]amino]-5-[[(1S)-1-benzhydryl-2-[[(1S)-1-[[(1S)-1-(cyclohexylmethyl)-2-keto-2-[[(1R)-2-keto-1-(mercaptomethyl)-2-[(2-phenylcyclopropyl)amino]ethyl]amino]ethyl]carbamoyl]-4-hydroxy-4-keto-butyl]amino]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C52H65N7O13S MolecularWeight: 1028.1766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)NC(CCC(=O)O)C(=O)NC(CC3CCCCC3)C(=O)NC(CS)C(=O)NC4CC4C5=CC=CC=C5

Isomeric SMILES

CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](CS)C(=O)NC4CC4C5=CC=CC=C5

InChI

InChI=1S/C52H65N7O13S/c1-30(60)53-40(28-44(65)66)50(70)54-37(23-25-43(63)64)48(68)59-46(45(33-18-10-4-11-19-33)34-20-12-5-13-21-34)52(72)55-36(22-24-42(61)62)47(67)57-39(26-31-14-6-2-7-15-31)49(69)58-41(29-73)51(71)56-38-27-35(38)32-16-8-3-9-17-32/h3-5,8-13,16-21,31,35-41,45-46,73H,2,6-7,14-15,22-29H2,1H3,(H,53,60)(H,54,70)(H,55,72)(H,56,71)(H,57,67)(H,58,69)(H,59,68)(H,61,62)(H,63,64)(H,65,66)/t35?,36-,37-,38?,39-,40-,41-,46-/m0/s1