(phenylmethyl) 2-[2,6-bis(azanyl)hexanoylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[2,6-bis(azanyl)hexanoylamino]-3-phenyl-propanoate Openeye Name: benzyl 2-(2,6-diaminohexanoylamino)-3-phenyl-propanoate CAS Name: 2-[(2,6-diamino-1-oxohexyl)amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2,6-diaminohexanoylamino)-3-phenylpropanoate Traditional Name: 2-(2,6-diaminohexanoylamino)-3-phenyl-propionic acid benzyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C(CCCCN)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C(CCCCN)N

InChI

InChI=1S/C22H29N3O3/c23-14-8-7-13-19(24)21(26)25-20(15-17-9-3-1-4-10-17)22(27)28-16-18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16,23-24H2,(H,25,26)