(2R)-3-(2-azanylethylsulfanyl)-2-(2-benzamidoethanoylamino)propanoic acid

Systemtic Name: (2R)-3-(2-azanylethylsulfanyl)-2-(2-benzamidoethanoylamino)propanoic acid Openeye Name: (2R)-3-(2-aminoethylsulfanyl)-2-[(2-benzamidoacetyl)amino]propanoic acid CAS Name: (2R)-3-(2-aminoethylthio)-2-[(2-benzamido-1-oxoethyl)amino]propanoic acid IUPAC Name: (2R)-3-(2-aminoethylsulfanyl)-2-[(2-benzamidoacetyl)amino]propanoic acid Traditional Name: (2R)-3-(2-aminoethylthio)-2-(hippuroylamino)propionic acid 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(CSCCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(=O)N[C@@H](CSCCN)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