[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 5-azanyl-2-[(4-fluorophenyl)carbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 5-azanyl-2-[(4-fluorophenyl)carbonylamino]-5-oxidanylidene-pentanoate Openeye Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl] 5-amino-2-[(4-fluorobenzoyl)amino]-5-oxo-pentanoate CAS Name: 5-amino-2-[[(4-fluorophenyl)-oxomethyl]amino]-5-oxopentanoic acid [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate Traditional Name: 5-amino-2-[(4-fluorobenzoyl)amino]-5-keto-valeric acid [2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl] ester Formula: C28H25FN4O5S MolecularWeight: 548.585303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C(CCC(=O)N)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C(CCC(=O)N)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H25FN4O5S/c1-16-2-11-21-23(14-16)39-27(33-21)18-5-9-20(10-6-18)31-25(35)15-38-28(37)22(12-13-24(30)34)32-26(36)17-3-7-19(29)8-4-17/h2-11,14,22H,12-13,15H2,1H3,(H2,30,34)(H,31,35)(H,32,36)