2-[(1-phenyl-3-sulfanyl-propan-2-yl)carbamoylamino]ethanoic acid

Systemtic Name: 2-[(1-phenyl-3-sulfanyl-propan-2-yl)carbamoylamino]ethanoic acid Openeye Name: 2-[(1-benzyl-2-sulfanyl-ethyl)carbamoylamino]acetic acid CAS Name: 2-[[[(1-mercapto-3-phenylpropan-2-yl)amino]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-phenyl-3-sulfanylpropan-2-yl)carbamoylamino]acetic acid Traditional Name: 2-[(1-benzyl-2-mercapto-ethyl)carbamoylamino]acetic acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)NC(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)NC(=O)NCC(=O)O

InChI

InChI=1S/C12H16N2O3S/c15-11(16)7-13-12(17)14-10(8-18)6-9-4-2-1-3-5-9/h1-5,10,18H,6-8H2,(H,15,16)(H2,13,14,17)