2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-methyl-N-(phenylmethyl)pentanamide hydrochloride

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-methyl-N-(phenylmethyl)pentanamide hydrochloride Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)amino]-N-benzyl-3-methyl-pentanamide hydrochloride CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-methyl-N-(phenylmethyl)pentanamide hydrochloride IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)amino]-N-benzyl-3-methylpentanamide hydrochloride Traditional Name: N-benzyl-3-methyl-2-(phenylalanylamino)valeramide hydrochloride Formula: C22H30ClN3O2 MolecularWeight: 403.9455

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)N.Cl

Isomeric SMILES

CCC(C)C(C(=O)NCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)N.Cl

InChI

InChI=1S/C22H29N3O2.ClH/c1-3-16(2)20(22(27)24-15-18-12-8-5-9-13-18)25-21(26)19(23)14-17-10-6-4-7-11-17;/h4-13,16,19-20H,3,14-15,23H2,1-2H3,(H,24,27)(H,25,26);1H