2,2,2-tris(fluoranyl)ethyl 3-[2-[[2-[[3-(aminocarbonylamino)phenyl]methyl]-1,3-thiazol-4-yl]carbonylamino]ethanoylamino]-4-azanyl-4-oxidanylidene-butanoate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 3-[2-[[2-[[3-(aminocarbonylamino)phenyl]methyl]-1,3-thiazol-4-yl]carbonylamino]ethanoylamino]-4-azanyl-4-oxidanylidene-butanoate Openeye Name: 2,2,2-trifluoroethyl 4-amino-4-oxo-3-[[2-[[2-[(3-ureidophenyl)methyl]thiazole-4-carbonyl]amino]acetyl]amino]butanoate CAS Name: 4-amino-3-[[2-[[[2-[[3-(carbamoylamino)phenyl]methyl]-4-thiazolyl]-oxomethyl]amino]-1-oxoethyl]amino]-4-oxobutanoic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-amino-3-[[2-[[2-[[3-(carbamoylamino)phenyl]methyl]-1,3-thiazole-4-carbonyl]amino]acetyl]amino]-4-oxobutanoate Traditional Name: 4-amino-4-keto-3-[[2-[[2-(3-ureidobenzyl)thiazole-4-carbonyl]amino]acetyl]amino]butyric acid 2,2,2-trifluoroethyl ester Formula: C20H21F3N6O6S MolecularWeight: 530.47755

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)N)CC2=NC(=CS2)C(=O)NCC(=O)NC(CC(=O)OCC(F)(F)F)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)N)CC2=NC(=CS2)C(=O)NCC(=O)NC(CC(=O)OCC(F)(F)F)C(=O)N

InChI

InChI=1S/C20H21F3N6O6S/c21-20(22,23)9-35-16(31)6-12(17(24)32)28-14(30)7-26-18(33)13-8-36-15(29-13)5-10-2-1-3-11(4-10)27-19(25)34/h1-4,8,12H,5-7,9H2,(H2,24,32)(H,26,33)(H,28,30)(H3,25,27,34)