(2R)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate Openeye Name: (2R)-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-phenylpropanoate IUPAC Name: (2R)-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-phenyl-propionate Formula: C14H15N4O3S- MolecularWeight: 319.3589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CN1C=NN=C1SCC(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H16N4O3S/c1-18-9-15-17-14(18)22-8-12(19)16-11(13(20)21)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,16,19)(H,20,21)/p-1/t11-/m1/s1