4-azanyl-2-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-keto-butyric acid Formula: C11H15N5O4S MolecularWeight: 313.3329

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN=C2SCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1CC1N2C=NN=C2SCC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C11H15N5O4S/c12-8(17)3-7(10(19)20)14-9(18)4-21-11-15-13-5-16(11)6-1-2-6/h5-7H,1-4H2,(H2,12,17)(H,14,18)(H,19,20)