4-azanyl-2-[2-[(5-methylthiophen-2-yl)carbonylamino]ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-[(5-methylthiophen-2-yl)carbonylamino]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[[(5-methyl-2-thiophenyl)-oxomethyl]amino]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]butyric acid Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(=O)NCC(=O)NC(CC(=O)N)C(=O)O

InChI

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