3-[(2-azanyl-3-phenyl-propanoyl)-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]amino]propanoic acid

Systemtic Name: 3-[(2-azanyl-3-phenyl-propanoyl)-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]amino]propanoic acid Openeye Name: 3-[(2-amino-3-phenyl-propanoyl)-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl]amino]propanoic acid CAS Name: 3-[(2-amino-1-oxo-3-phenylpropyl)-[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]propanoic acid IUPAC Name: 3-[(2-amino-3-phenylpropanoyl)-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]amino]propanoic acid Traditional Name: 3-[phenylalanyl-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl]amino]propionic acid Formula: C15H17N5O4S2 MolecularWeight: 395.45658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N(CCC(=O)O)C(=O)NC2=NNC(=S)S2)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)N(CCC(=O)O)C(=O)NC2=NNC(=S)S2)N

InChI

InChI=1S/C15H17N5O4S2/c16-10(8-9-4-2-1-3-5-9)12(23)20(7-6-11(21)22)14(24)17-13-18-19-15(25)26-13/h1-5,10H,6-8,16H2,(H,19,25)(H,21,22)(H,17,18,24)