(2S,3S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(2S)-2-ammonio-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[(2S)-2-ammonio-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-valerate Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4/c1-3-9(2)13(15(20)21)17-14(19)12(16)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