(2S)-2-[[(2S)-2-(2-azaniumylethanoylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[(2S)-2-(2-azaniumylethanoylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-[(2-ammonio-1-oxoethyl)amino]-3-methyl-1-oxobutyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-methylbutanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-[(2-ammonioacetyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propionate Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-10(2)14(19-13(20)9-17)15(21)18-12(16(22)23)8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9,17H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)/t12-,14-/m0/s1