2-(2-azanylethanoylamino)-3,3-dimethyl-N-[4-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]butanamide

Systemtic Name: 2-(2-azanylethanoylamino)-3,3-dimethyl-N-[4-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]butanamide Openeye Name: 2-[(2-aminoacetyl)amino]-N-[1-benzyl-2-hydroxy-3-[isobutyl-(4-nitrophenyl)sulfonyl-amino]propyl]-3,3-dimethyl-butanamide CAS Name: 2-[(2-amino-1-oxoethyl)amino]-N-[3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]-3,3-dimethylbutanamide IUPAC Name: 2-[(2-aminoacetyl)amino]-N-[3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]-3,3-dimethylbutanamide Traditional Name: N-[1-benzyl-2-hydroxy-3-[isobutyl(nosyl)amino]propyl]-2-(glycylamino)-3,3-dimethyl-butyramide Formula: C28H41N5O7S MolecularWeight: 591.71944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C(C)(C)C)NC(=O)CN)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C(C)(C)C)NC(=O)CN)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C28H41N5O7S/c1-19(2)17-32(41(39,40)22-13-11-21(12-14-22)33(37)38)18-24(34)23(15-20-9-7-6-8-10-20)30-27(36)26(28(3,4)5)31-25(35)16-29/h6-14,19,23-24,26,34H,15-18,29H2,1-5H3,(H,30,36)(H,31,35)