1-[6-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-amino-2-[(2-amino-3-phenyl-propanoyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-amino-2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-amino-2-[(2-amino-3-phenylpropanoyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-amino-2-(phenylalanylamino)hexanoyl]proline Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NC(=O)C(CC2=CC=CC=C2)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)NC(=O)C(CC2=CC=CC=C2)N)C(=O)O

InChI

InChI=1S/C20H30N4O4/c21-11-5-4-9-16(19(26)24-12-6-10-17(24)20(27)28)23-18(25)15(22)13-14-7-2-1-3-8-14/h1-3,7-8,15-17H,4-6,9-13,21-22H2,(H,23,25)(H,27,28)