4-[(2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-5-[[1-cyclohexyl-2-[[3-methyl-1-oxidanylidene-1-[2-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)carbamoyl]-4-phenylmethoxy-pyrrolidin-1-yl]butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[(2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-5-[[1-cyclohexyl-2-[[3-methyl-1-oxidanylidene-1-[2-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)carbamoyl]-4-phenylmethoxy-pyrrolidin-1-yl]butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(2-acetamido-4-hydroxy-4-oxo-butanoyl)amino]-5-[[2-[[1-[4-benzyloxy-2-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]amino]-1-cyclohexyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[(2-acetamido-4-hydroxy-1,4-dioxobutyl)amino]-5-[[1-cyclohexyl-2-[[1-[2-[[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-oxomethyl]-4-phenylmethoxy-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 4-[(2-acetamido-4-hydroxy-4-oxobutanoyl)amino]-5-[[1-cyclohexyl-2-[[1-[2-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid Traditional Name: 4-[(2-acetamido-4-hydroxy-4-keto-butanoyl)amino]-5-[[2-[[1-[4-benzoxy-2-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]amino]-1-cyclohexyl-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C39H56N6O13S MolecularWeight: 848.95934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC(CC1C(=O)NC(CS)C(=O)O)OCC2=CC=CC=C2)NC(=O)C(C3CCCCC3)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)N1CC(CC1C(=O)NC(CS)C(=O)O)OCC2=CC=CC=C2)NC(=O)C(C3CCCCC3)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C

InChI

InChI=1S/C39H56N6O13S/c1-21(2)32(38(55)45-18-25(58-19-23-10-6-4-7-11-23)16-29(45)36(53)42-28(20-59)39(56)57)43-37(54)33(24-12-8-5-9-13-24)44-34(51)26(14-15-30(47)48)41-35(52)27(17-31(49)50)40-22(3)46/h4,6-7,10-11,21,24-29,32-33,59H,5,8-9,12-20H2,1-3H3,(H,40,46)(H,41,52)(H,42,53)(H,43,54)(H,44,51)(H,47,48)(H,49,50)(H,56,57)