(2S)-2-[[(2S)-2-(2-azaniumylethanoylamino)-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: (2S)-2-[[(2S)-2-(2-azaniumylethanoylamino)-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoate Openeye Name: (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[(2S)-2-[(2-ammonio-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxypropanoate IUPAC Name: (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[(2S)-2-[(2-ammonioacetyl)amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propionate Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O5/c15-7-12(19)16-10(6-9-4-2-1-3-5-9)13(20)17-11(8-18)14(21)22/h1-5,10-11,18H,6-8,15H2,(H,16,19)(H,17,20)(H,21,22)/t10-,11-/m0/s1