3-[carboxycarbonyl-[4-[(2S)-3-[4-(2-methoxycarbonyl-3-oxidanyl-phenoxy)butylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]phenyl]amino]-2-methyl-propanoic acid

Systemtic Name: 3-[carboxycarbonyl-[4-[(2S)-3-[4-(2-methoxycarbonyl-3-oxidanyl-phenoxy)butylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]phenyl]amino]-2-methyl-propanoic acid Openeye Name: 3-[4-[(2S)-2-(tert-butoxycarbonylamino)-3-[4-(3-hydroxy-2-methoxycarbonyl-phenoxy)butylamino]-3-oxo-propyl]-N-oxalo-anilino]-2-methyl-propanoic acid CAS Name: 3-[4-[(2S)-3-[4-(3-hydroxy-2-methoxycarbonylphenoxy)butylamino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]-N-oxaloanilino]-2-methylpropanoic acid IUPAC Name: 3-[4-[(2S)-3-[4-(3-hydroxy-2-methoxycarbonylphenoxy)butylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-N-oxaloanilino]-2-methylpropanoic acid Traditional Name: 3-[4-[(2S)-2-(tert-butoxycarbonylamino)-3-[4-(2-carbomethoxy-3-hydroxy-phenoxy)butylamino]-3-keto-propyl]-N-oxalo-anilino]-2-methyl-propionic acid Formula: C32H41N3O12 MolecularWeight: 659.68084

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C1=CC=C(C=C1)CC(C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O)NC(=O)OC(C)(C)C)C(=O)C(=O)O)C(=O)O

Isomeric SMILES

CC(CN(C1=CC=C(C=C1)C[C@@H](C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O)NC(=O)OC(C)(C)C)C(=O)C(=O)O)C(=O)O

InChI

InChI=1S/C32H41N3O12/c1-19(28(39)40)18-35(27(38)29(41)42)21-13-11-20(12-14-21)17-22(34-31(44)47-32(2,3)4)26(37)33-15-6-7-16-46-24-10-8-9-23(36)25(24)30(43)45-5/h8-14,19,22,36H,6-7,15-18H2,1-5H3,(H,33,37)(H,34,44)(H,39,40)(H,41,42)/t19?,22-/m0/s1