2-[3-[[2-[4-methoxycarbonyl-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamoylamino]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[2-[4-methoxycarbonyl-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamoylamino]phenyl]ethanoic acid Openeye Name: 2-[3-[[2-(2-tert-butoxycarbonyl-4-methoxycarbonyl-2-methyl-5-phenyl-pyrrolidin-1-yl)-2-oxo-ethyl]carbamoylamino]phenyl]acetic acid CAS Name: 2-[3-[[[[2-[4-methoxycarbonyl-2-methyl-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-phenyl-1-pyrrolidinyl]-2-oxoethyl]amino]-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-[3-[[2-[4-methoxycarbonyl-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpyrrolidin-1-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic acid Traditional Name: 2-[3-[[2-(2-tert-butoxycarbonyl-4-carbomethoxy-2-methyl-5-phenyl-pyrrolidino)-2-keto-ethyl]carbamoylamino]phenyl]acetic acid Formula: C29H35N3O8 MolecularWeight: 553.6035

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(N1C(=O)CNC(=O)NC2=CC=CC(=C2)CC(=O)O)C3=CC=CC=C3)C(=O)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC1(CC(C(N1C(=O)CNC(=O)NC2=CC=CC(=C2)CC(=O)O)C3=CC=CC=C3)C(=O)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H35N3O8/c1-28(2,3)40-26(37)29(4)16-21(25(36)39-5)24(19-11-7-6-8-12-19)32(29)22(33)17-30-27(38)31-20-13-9-10-18(14-20)15-23(34)35/h6-14,21,24H,15-17H2,1-5H3,(H,34,35)(H2,30,31,38)