[(2S)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [(2S)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [(1S)-2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [(2S)-1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [(1S)-2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NC1=C(C=CS1)C(=O)N)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O[C@@H](C)C(=O)NC1=C(C=CS1)C(=O)N)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H20N4O5S/c1-10(20-18(26)21-12-6-4-3-5-7-12)17(25)27-11(2)15(24)22-16-13(14(19)23)8-9-28-16/h3-11H,1-2H3,(H2,19,23)(H,22,24)(H2,20,21,26)/t10-,11-/m0/s1