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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4/c1-3-9(2)13(16)14(19)17-12(15(20)21)8-10-4-6-11(18)7-5-10/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19)(H,20,21)/t9-,12-,13-/m0/s1