2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-methyl-N-(1-oxidanyl-2-oxidanylidene-5-phenyl-pentan-3-yl)pentanamide hydrochloride

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-methyl-N-(1-oxidanyl-2-oxidanylidene-5-phenyl-pentan-3-yl)pentanamide hydrochloride Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)amino]-N-(3-hydroxy-2-oxo-1-phenethyl-propyl)-3-methyl-pentanamide hydrochloride CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-N-(1-hydroxy-2-oxo-5-phenylpentan-3-yl)-3-methylpentanamide hydrochloride IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)amino]-N-(1-hydroxy-2-oxo-5-phenylpentan-3-yl)-3-methylpentanamide hydrochloride Traditional Name: N-(3-hydroxy-2-keto-1-phenethyl-propyl)-3-methyl-2-(phenylalanylamino)valeramide hydrochloride Formula: C26H36ClN3O4 MolecularWeight: 490.03474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC1=CC=CC=C1)C(=O)CO)NC(=O)C(CC2=CC=CC=C2)N.Cl

Isomeric SMILES

CCC(C)C(C(=O)NC(CCC1=CC=CC=C1)C(=O)CO)NC(=O)C(CC2=CC=CC=C2)N.Cl

InChI

InChI=1S/C26H35N3O4.ClH/c1-3-18(2)24(29-25(32)21(27)16-20-12-8-5-9-13-20)26(33)28-22(23(31)17-30)15-14-19-10-6-4-7-11-19;/h4-13,18,21-22,24,30H,3,14-17,27H2,1-2H3,(H,28,33)(H,29,32);1H