methyl 4-[[(2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]benzoate

Systemtic Name: methyl 4-[[(2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: methyl 4-[[(2S)-4-methylsulfanyl-2-ureido-butanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 4-[[(2S)-4-(methylthio)-2-ureido-butanoyl]amino]benzoic acid methyl ester Formula: C14H19N3O4S MolecularWeight: 325.38336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C14H19N3O4S/c1-21-13(19)9-3-5-10(6-4-9)16-12(18)11(7-8-22-2)17-14(15)20/h3-6,11H,7-8H2,1-2H3,(H,16,18)(H3,15,17,20)/t11-/m0/s1