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

Systemtic Name: 3-[(1-phenyl-3-sulfanyl-propan-2-yl)carbamoylamino]propanoic acid Openeye Name: 3-[(1-benzyl-2-sulfanyl-ethyl)carbamoylamino]propanoic acid CAS Name: 3-[[[(1-mercapto-3-phenylpropan-2-yl)amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(1-phenyl-3-sulfanylpropan-2-yl)carbamoylamino]propanoic acid Traditional Name: 3-[(1-benzyl-2-mercapto-ethyl)carbamoylamino]propionic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c16-12(17)6-7-14-13(18)15-11(9-19)8-10-4-2-1-3-5-10/h1-5,11,19H,6-9H2,(H,16,17)(H2,14,15,18)