2-[[(2R)-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]-3-thiophen-2-yl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2R)-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]-3-thiophen-2-yl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2R)-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]-3-(2-thienyl)propanoyl]amino]acetic acid CAS Name: 2-[[(2R)-2-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-1-oxo-3-thiophen-2-ylpropyl]amino]acetic acid IUPAC Name: 2-[[(2R)-2-[(3-phenyl-2-sulfanylpropanoyl)amino]-3-thiophen-2-ylpropanoyl]amino]acetic acid Traditional Name: 2-[[(2R)-2-[(2-mercapto-3-phenyl-propanoyl)amino]-3-(2-thienyl)propanoyl]amino]acetic acid Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CS2)C(=O)NCC(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)N[C@H](CC2=CC=CS2)C(=O)NCC(=O)O)S

InChI

InChI=1S/C18H20N2O4S2/c21-16(22)11-19-17(23)14(10-13-7-4-8-26-13)20-18(24)15(25)9-12-5-2-1-3-6-12/h1-8,14-15,25H,9-11H2,(H,19,23)(H,20,24)(H,21,22)/t14-,15?/m1/s1