1-[azanyl(4-azanylbutyl)carbamoyl]-2-(1-oxidanylidene-4-phenyl-1-phenylmethoxy-butan-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[azanyl(4-azanylbutyl)carbamoyl]-2-(1-oxidanylidene-4-phenyl-1-phenylmethoxy-butan-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 1-[amino(4-aminobutyl)carbamoyl]-2-(1-benzyloxycarbonyl-3-phenyl-propyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[[amino(4-aminobutyl)amino]-oxomethyl]-2-(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[amino(4-aminobutyl)carbamoyl]-2-(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[amino(4-aminobutyl)carbamoyl]-2-(1-carbobenzoxy-3-phenyl-propyl)proline Formula: C27H36N4O5 MolecularWeight: 496.59854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)N(CCCCN)N)(C(CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)N(CCCCN)N)(C(CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H36N4O5/c28-17-7-8-19-31(29)26(35)30-18-9-16-27(30,25(33)34)23(15-14-21-10-3-1-4-11-21)24(32)36-20-22-12-5-2-6-13-22/h1-6,10-13,23H,7-9,14-20,28-29H2,(H,33,34)