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

Systemtic Name: (2S,3S)-2-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(2S)-2-ammonio-1-oxo-3-phenylpropyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[(2S)-2-azaniumyl-3-phenylpropanoyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[(2S)-2-ammonio-3-phenyl-propanoyl]amino]-3-methyl-valerate Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-3-10(2)13(15(19)20)17-14(18)12(16)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9,16H2,1-2H3,(H,17,18)(H,19,20)/t10-,12-,13-/m0/s1