5-[[4-[3-methylbutyl-(4-nitrophenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-[3-methylbutyl-(4-nitrophenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[1-benzyl-2-hydroxy-3-[isopentyl-(4-nitrophenyl)sulfonyl-amino]propyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[3-hydroxy-4-[3-methylbutyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[3-hydroxy-4-[3-methylbutyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[1-benzyl-2-hydroxy-3-[isoamyl(nosyl)amino]propyl]amino]-5-keto-valeric acid Formula: C26H35N3O8S MolecularWeight: 549.6364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O8S/c1-19(2)15-16-28(38(36,37)22-13-11-21(12-14-22)29(34)35)18-24(30)23(17-20-7-4-3-5-8-20)27-25(31)9-6-10-26(32)33/h3-5,7-8,11-14,19,23-24,30H,6,9-10,15-18H2,1-2H3,(H,27,31)(H,32,33)