4-azanyl-4-[(3,4-dimethoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanylidene-1-propanoyl-5-propyl-5-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-azanyl-4-[(3,4-dimethoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanylidene-1-propanoyl-5-propyl-5-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-amino-2-tert-butoxycarbonyl-4-[(3,4-dimethoxyphenyl)methyl]-3-oxo-1-propanoyl-5-propyl-5-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid CAS Name: 4-amino-4-[(3,4-dimethoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-oxo-1-(1-oxopropyl)-5-propyl-5-(1-pyrrolidinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-amino-4-[(3,4-dimethoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-1-propanoyl-5-propyl-5-pyrrolidin-1-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-amino-2-tert-butoxycarbonyl-3-keto-1-propionyl-5-propyl-5-pyrrolidino-4-veratryl-proline Formula: C29H43N3O8 MolecularWeight: 561.66702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(C(=O)C(N1C(=O)CC)(C(=O)O)C(=O)OC(C)(C)C)(CC2=CC(=C(C=C2)OC)OC)N)N3CCCC3

Isomeric SMILES

CCCC1(C(C(=O)C(N1C(=O)CC)(C(=O)O)C(=O)OC(C)(C)C)(CC2=CC(=C(C=C2)OC)OC)N)N3CCCC3

InChI

InChI=1S/C29H43N3O8/c1-8-14-28(31-15-10-11-16-31)27(30,18-19-12-13-20(38-6)21(17-19)39-7)23(34)29(24(35)36,32(28)22(33)9-2)25(37)40-26(3,4)5/h12-13,17H,8-11,14-16,18,30H2,1-7H3,(H,35,36)