(2R)-2-[[(2R)-2-azaniumyl-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: (2R)-2-[[(2R)-2-azaniumyl-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: (2R)-2-[[(2R)-2-azaniumyl-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2R)-2-[[(2R)-2-ammonio-4-methyl-1-oxopentyl]amino]-3-(4-hydroxyphenyl)propanoate IUPAC Name: (2R)-2-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2R)-2-[[(2R)-2-ammonio-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propionate Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)C[C@H](C(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)[O-])[NH3+]

InChI

InChI=1S/C15H22N2O4/c1-9(2)7-12(16)14(19)17-13(15(20)21)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8,16H2,1-2H3,(H,17,19)(H,20,21)/t12-,13-/m1/s1