2-[2-[2-[phenylcarbonyl(sulfanyl)amino]ethanoylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[2-[phenylcarbonyl(sulfanyl)amino]ethanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[2-[benzoyl(sulfanyl)amino]acetyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[2-[benzoyl(mercapto)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[benzoyl(sulfanyl)amino]acetyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[benzoyl(mercapto)amino]acetyl]amino]acetyl]amino]acetic acid Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(CC(=O)NCC(=O)NCC(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(CC(=O)NCC(=O)NCC(=O)O)S

InChI

InChI=1S/C13H15N3O5S/c17-10(15-7-12(19)20)6-14-11(18)8-16(22)13(21)9-4-2-1-3-5-9/h1-5,22H,6-8H2,(H,14,18)(H,15,17)(H,19,20)