4-[(3,3-dimethyl-1-phenylmethoxycarbonyloxy-butan-2-yl)amino]-4-oxidanylidene-2-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoic acid

Systemtic Name: 4-[(3,3-dimethyl-1-phenylmethoxycarbonyloxy-butan-2-yl)amino]-4-oxidanylidene-2-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoic acid Openeye Name: 4-[[1-(benzyloxycarbonyloxymethyl)-2,2-dimethyl-propyl]amino]-4-oxo-2-[3-[4-(4-pyridyl)phenyl]pyrrol-1-yl]butanoic acid CAS Name: 4-[(3,3-dimethyl-1-phenylmethoxycarbonyloxybutan-2-yl)amino]-4-oxo-2-[3-(4-pyridin-4-ylphenyl)-1-pyrrolyl]butanoic acid IUPAC Name: 4-[(3,3-dimethyl-1-phenylmethoxycarbonyloxybutan-2-yl)amino]-4-oxo-2-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoic acid Traditional Name: 4-[[1-(carbobenzoxyoxymethyl)-2,2-dimethyl-propyl]amino]-4-keto-2-[3-[4-(4-pyridyl)phenyl]pyrrol-1-yl]butyric acid Formula: C33H35N3O6 MolecularWeight: 569.6475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(COC(=O)OCC1=CC=CC=C1)NC(=O)CC(C(=O)O)N2C=CC(=C2)C3=CC=C(C=C3)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)C(COC(=O)OCC1=CC=CC=C1)NC(=O)CC(C(=O)O)N2C=CC(=C2)C3=CC=C(C=C3)C4=CC=NC=C4

InChI

InChI=1S/C33H35N3O6/c1-33(2,3)29(22-42-32(40)41-21-23-7-5-4-6-8-23)35-30(37)19-28(31(38)39)36-18-15-27(20-36)25-11-9-24(10-12-25)26-13-16-34-17-14-26/h4-18,20,28-29H,19,21-22H2,1-3H3,(H,35,37)(H,38,39)