(2S,3S)-2-[[4-(azaniumylmethyl)phenyl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[[4-(azaniumylmethyl)phenyl]carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[4-(azaniumylmethyl)benzoyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[[4-(ammoniomethyl)phenyl]-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[4-(azaniumylmethyl)benzoyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[4-(ammoniomethyl)benzoyl]amino]-3-methyl-valerate Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3/c1-3-9(2)12(14(18)19)16-13(17)11-6-4-10(8-15)5-7-11/h4-7,9,12H,3,8,15H2,1-2H3,(H,16,17)(H,18,19)/t9-,12-/m0/s1