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

Systemtic Name: 2-[(2S)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-[[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]propan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propyl]propanedioic acid Openeye Name: 2-[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxo-butanoyl]amino]-3-[[(1S)-1-[[(1S)-1-[[(1S)-1-(cyclohexylmethyl)-2-[[(1R)-2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]carbamoyl]-4-hydroxy-4-oxo-butyl]carbamoyl]-3-methyl-butyl]amino]-3-oxo-propyl]propanedioic acid CAS Name: 2-[(2S)-2-[[(2S)-2-amino-4-hydroxy-1,4-dioxobutyl]amino]-3-[[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(2R)-1-hydroxy-3-mercapto-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]propanedioic acid IUPAC Name: 2-[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-3-[[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]propanedioic acid Traditional Name: 2-[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-keto-butanoyl]amino]-3-[[(1S)-1-[[(1S)-1-[[(1S)-1-(cyclohexylmethyl)-2-[[(1R)-2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-ethyl]carbamoyl]-4-hydroxy-4-keto-butyl]carbamoyl]-3-methyl-butyl]amino]-3-keto-propyl]malonic acid Formula: C33H52N6O15S MolecularWeight: 804.86218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H52N6O15S/c1-15(2)10-20(37-30(48)22(12-17(31(49)50)32(51)52)36-26(44)18(34)13-25(42)43)28(46)35-19(8-9-24(40)41)27(45)38-21(11-16-6-4-3-5-7-16)29(47)39-23(14-55)33(53)54/h15-23,55H,3-14,34H2,1-2H3,(H,35,46)(H,36,44)(H,37,48)(H,38,45)(H,39,47)(H,40,41)(H,42,43)(H,49,50)(H,51,52)(H,53,54)/t18-,19-,20-,21-,22-,23-/m0/s1