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

Systemtic Name: (2S)-2-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S,3S)-2-ammonio-3-methyl-1-oxopentyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S,3S)-2-ammonio-3-methyl-pentanoyl]amino]-3-phenyl-propionate Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-3-10(2)13(16)14(18)17-12(15(19)20)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