(phenylmethyl) 5-azanyl-4-[(2-azanyl-3-methyl-pentanoyl)amino]-5-oxidanylidene-pentanoate hydrochloride

Systemtic Name: (phenylmethyl) 5-azanyl-4-[(2-azanyl-3-methyl-pentanoyl)amino]-5-oxidanylidene-pentanoate hydrochloride Openeye Name: benzyl 5-amino-4-[(2-amino-3-methyl-pentanoyl)amino]-5-oxo-pentanoate hydrochloride CAS Name: 5-amino-4-[(2-amino-3-methyl-1-oxopentyl)amino]-5-oxopentanoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 5-amino-4-[(2-amino-3-methylpentanoyl)amino]-5-oxopentanoate hydrochloride Traditional Name: 5-amino-4-[(2-amino-3-methyl-pentanoyl)amino]-5-keto-valeric acid benzyl ester hydrochloride Formula: C18H28ClN3O4 MolecularWeight: 385.88562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)N)N.Cl

Isomeric SMILES

CCC(C)C(C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)N)N.Cl

InChI

InChI=1S/C18H27N3O4.ClH/c1-3-12(2)16(19)18(24)21-14(17(20)23)9-10-15(22)25-11-13-7-5-4-6-8-13;/h4-8,12,14,16H,3,9-11,19H2,1-2H3,(H2,20,23)(H,21,24);1H