N-[5-[[4-methyl-1-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-[(2-nitrophenyl)disulfanyl]-5-oxidanylidene-pentyl]pyridine-3-carboxamide

Systemtic Name: N-[5-[[4-methyl-1-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-[(2-nitrophenyl)disulfanyl]-5-oxidanylidene-pentyl]pyridine-3-carboxamide Openeye Name: N-[5-[[1-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-4-[(2-nitrophenyl)disulfanyl]-5-oxo-pentyl]pyridine-3-carboxamide CAS Name: N-[5-[[4-methyl-1-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-[(2-nitrophenyl)disulfanyl]-5-oxopentyl]-3-pyridinecarboxamide IUPAC Name: N-[5-[[4-methyl-1-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-[(2-nitrophenyl)disulfanyl]-5-oxopentyl]pyridine-3-carboxamide Traditional Name: N-[5-[[1-[[1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]-3-methyl-butyl]amino]-5-keto-4-[(2-nitrophenyl)disulfanyl]pentyl]nicotinamide Formula: C33H40N6O6S2 MolecularWeight: 680.8373

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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(CCCNC(=O)C2=CN=CC=C2)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(CCCNC(=O)C2=CN=CC=C2)SSC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C33H40N6O6S2/c1-22(2)19-25(32(42)37-26(31(41)34-3)20-23-11-5-4-6-12-23)38-33(43)29(47-46-28-15-8-7-14-27(28)39(44)45)16-10-18-36-30(40)24-13-9-17-35-21-24/h4-9,11-15,17,21-22,25-26,29H,10,16,18-20H2,1-3H3,(H,34,41)(H,36,40)(H,37,42)(H,38,43)