4-[4-methylpentanoyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]amino]benzoic acid

Systemtic Name: 4-[4-methylpentanoyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]amino]benzoic acid Openeye Name: 4-[[[4-benzyloxy-2-(tert-butoxycarbonylamino)-4-oxo-butanoyl]amino]-(4-methylpentanoyl)amino]benzoic acid CAS Name: 4-[(4-methyl-1-oxopentyl)-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,4-dioxo-4-phenylmethoxybutyl]amino]amino]benzoic acid IUPAC Name: 4-[4-methylpentanoyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoyl]amino]amino]benzoic acid Traditional Name: 4-[[[4-benzoxy-2-(tert-butoxycarbonylamino)-4-keto-butanoyl]amino]-(4-methylpentanoyl)amino]benzoic acid Formula: C29H37N3O8 MolecularWeight: 555.61938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C1=CC=C(C=C1)C(=O)O)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCC(=O)N(C1=CC=C(C=C1)C(=O)O)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C29H37N3O8/c1-19(2)11-16-24(33)32(22-14-12-21(13-15-22)27(36)37)31-26(35)23(30-28(38)40-29(3,4)5)17-25(34)39-18-20-9-7-6-8-10-20/h6-10,12-15,19,23H,11,16-18H2,1-5H3,(H,30,38)(H,31,35)(H,36,37)