2-[[5-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-[(2-nitrophenyl)disulfanyl]pentanoyl]amino]-4-methyl-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]pentanamide

Systemtic Name: 2-[[5-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-[(2-nitrophenyl)disulfanyl]pentanoyl]amino]-4-methyl-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]pentanamide Openeye Name: N-[1-benzyl-2-(methylamino)-2-oxo-ethyl]-2-[[5-(2,5-dioxopyrrolidin-1-yl)-2-[(2-nitrophenyl)disulfanyl]pentanoyl]amino]-4-methyl-pentanamide CAS Name: 2-[[5-(2,5-dioxo-1-pyrrolidinyl)-2-[(2-nitrophenyl)disulfanyl]-1-oxopentyl]amino]-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide IUPAC Name: 2-[[5-(2,5-dioxopyrrolidin-1-yl)-2-[(2-nitrophenyl)disulfanyl]pentanoyl]amino]-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide Traditional Name: N-[1-benzyl-2-keto-2-(methylamino)ethyl]-4-methyl-2-[[2-[(2-nitrophenyl)disulfanyl]-5-succinimido-pentanoyl]amino]valeramide Formula: C31H39N5O7S2 MolecularWeight: 657.80066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC)NC(=O)C(CCCN2C(=O)CCC2=O)SSC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC)NC(=O)C(CCCN2C(=O)CCC2=O)SSC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C31H39N5O7S2/c1-20(2)18-22(30(40)33-23(29(39)32-3)19-21-10-5-4-6-11-21)34-31(41)26(14-9-17-35-27(37)15-16-28(35)38)45-44-25-13-8-7-12-24(25)36(42)43/h4-8,10-13,20,22-23,26H,9,14-19H2,1-3H3,(H,32,39)(H,33,40)(H,34,41)