(2R)-3-(2-azaniumylethylsulfanyl)-2-(2-benzamidoethanoylamino)propanoate

Systemtic Name: (2R)-3-(2-azaniumylethylsulfanyl)-2-(2-benzamidoethanoylamino)propanoate Openeye Name: (2R)-3-(2-azaniumylethylsulfanyl)-2-[(2-benzamidoacetyl)amino]propanoate CAS Name: (2R)-3-(2-ammonioethylthio)-2-[(2-benzamido-1-oxoethyl)amino]propanoate IUPAC Name: (2R)-3-(2-azaniumylethylsulfanyl)-2-[(2-benzamidoacetyl)amino]propanoate Traditional Name: (2R)-3-(2-ammonioethylthio)-2-(hippuroylamino)propionate Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4S/c15-6-7-22-9-11(14(20)21)17-12(18)8-16-13(19)10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H,16,19)(H,17,18)(H,20,21)/t11-/m0/s1