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

Systemtic Name: ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]amino]propanoate Openeye Name: ethyl 3-[(2-amino-3-phenyl-propanoyl)-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl]amino]propanoate CAS Name: 3-[(2-amino-1-oxo-3-phenylpropyl)-[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2-amino-3-phenylpropanoyl)-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]amino]propanoate Traditional Name: 3-[phenylalanyl-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl]amino]propionic acid ethyl ester Formula: C17H21N5O4S2 MolecularWeight: 423.50974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C(=O)C(CC1=CC=CC=C1)N)C(=O)NC2=NNC(=S)S2

Isomeric SMILES

CCOC(=O)CCN(C(=O)C(CC1=CC=CC=C1)N)C(=O)NC2=NNC(=S)S2

InChI

InChI=1S/C17H21N5O4S2/c1-2-26-13(23)8-9-22(16(25)19-15-20-21-17(27)28-15)14(24)12(18)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10,18H2,1H3,(H,21,27)(H,19,20,25)