4-[2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]-2-methanoyl-pyrrolidin-1-yl]butanoic acid

Systemtic Name: 4-[2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]-2-methanoyl-pyrrolidin-1-yl]butanoic acid Openeye Name: 4-[2-[2-[(2-amino-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]-2-formyl-pyrrolidin-1-yl]butanoic acid CAS Name: 4-[2-[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxo-3-phenylpropyl]-2-formyl-1-pyrrolidinyl]butanoic acid IUPAC Name: 4-[2-[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]-2-formylpyrrolidin-1-yl]butanoic acid Traditional Name: 4-[2-formyl-2-[3-phenyl-2-(phenylalanylamino)propanoyl]pyrrolidino]butyric acid Formula: C27H33N3O5 MolecularWeight: 479.56802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CCCC(=O)O)(C=O)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

C1CC(N(C1)CCCC(=O)O)(C=O)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C27H33N3O5/c28-22(17-20-9-3-1-4-10-20)26(35)29-23(18-21-11-5-2-6-12-21)25(34)27(19-31)14-8-16-30(27)15-7-13-24(32)33/h1-6,9-12,19,22-23H,7-8,13-18,28H2,(H,29,35)(H,32,33)