[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate CAS Name: (2S)-2-[[oxo(thiophen-2-yl)methyl]amino]-3-phenylpropanoic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate Traditional Name: (2S)-3-phenyl-2-(2-thenoylamino)propionic acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NCC(=O)N)NC(=O)C2=CC=CS2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC(=O)NCC(=O)N)NC(=O)C2=CC=CS2

InChI

InChI=1S/C18H19N3O5S/c19-15(22)10-20-16(23)11-26-18(25)13(9-12-5-2-1-3-6-12)21-17(24)14-7-4-8-27-14/h1-8,13H,9-11H2,(H2,19,22)(H,20,23)(H,21,24)/t13-/m0/s1