methyl 2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoate hydrochloride

Systemtic Name: methyl 2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoate hydrochloride Openeye Name: methyl 2-[(2-amino-4-methyl-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoate hydrochloride CAS Name: 2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester hydrochloride IUPAC Name: methyl 2-[(2-amino-4-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoate hydrochloride Traditional Name: 2-[(2-amino-4-methyl-pentanoyl)amino]-3-(4-hydroxyphenyl)propionic acid methyl ester hydrochloride Formula: C16H25ClN2O4 MolecularWeight: 344.8337

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC)N.Cl

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC)N.Cl

InChI

InChI=1S/C16H24N2O4.ClH/c1-10(2)8-13(17)15(20)18-14(16(21)22-3)9-11-4-6-12(19)7-5-11;/h4-7,10,13-14,19H,8-9,17H2,1-3H3,(H,18,20);1H