4-azanyl-2-[2-[methyl(thiophen-2-ylcarbonyl)amino]ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-[methyl(thiophen-2-ylcarbonyl)amino]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[methyl-[oxo(thiophen-2-yl)methyl]amino]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[[2-[methyl(2-thenoyl)amino]acetyl]amino]butyric acid Formula: C12H15N3O5S MolecularWeight: 313.3296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC(CC(=O)N)C(=O)O)C(=O)C1=CC=CS1

Isomeric SMILES

CN(CC(=O)NC(CC(=O)N)C(=O)O)C(=O)C1=CC=CS1

InChI

InChI=1S/C12H15N3O5S/c1-15(11(18)8-3-2-4-21-8)6-10(17)14-7(12(19)20)5-9(13)16/h2-4,7H,5-6H2,1H3,(H2,13,16)(H,14,17)(H,19,20)