(phenylmethyl) 5-azanyl-4-(2-azanylpropanoylamino)-5-oxidanylidene-pentanoate hydrochloride

Systemtic Name: (phenylmethyl) 5-azanyl-4-(2-azanylpropanoylamino)-5-oxidanylidene-pentanoate hydrochloride Openeye Name: benzyl 5-amino-4-(2-aminopropanoylamino)-5-oxo-pentanoate hydrochloride CAS Name: 5-amino-4-[(2-amino-1-oxopropyl)amino]-5-oxopentanoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 5-amino-4-(2-aminopropanoylamino)-5-oxopentanoate hydrochloride Traditional Name: 4-(alanylamino)-5-amino-5-keto-valeric acid benzyl ester hydrochloride Formula: C15H22ClN3O4 MolecularWeight: 343.80588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4.ClH/c1-10(16)15(21)18-12(14(17)20)7-8-13(19)22-9-11-5-3-2-4-6-11;/h2-6,10,12H,7-9,16H2,1H3,(H2,17,20)(H,18,21);1H