(2S)-2-[[(4S)-4-[[4-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoranyl-phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]-methyl-amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(4S)-4-[[4-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoranyl-phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]-methyl-amino]pentanedioic acid Openeye Name: (2S)-2-[[(4S)-4-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoro-benzoyl]amino]-5-hydroxy-5-oxo-pentanoyl]-methyl-amino]pentanedioic acid CAS Name: (2S)-2-[[(4S)-4-[[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorophenyl]-oxomethyl]amino]-5-hydroxy-1,5-dioxopentyl]-methylamino]pentanedioic acid IUPAC Name: (2S)-2-[[(4S)-4-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-5-hydroxy-5-oxopentanoyl]-methylamino]pentanedioic acid Traditional Name: (2S)-2-[[(4S)-4-[[2-fluoro-4-[(4-keto-2,7-dimethyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]-5-hydroxy-5-keto-pentanoyl]-methyl-amino]glutaric acid Formula: C32H34FN5O9 MolecularWeight: 651.638863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=CC(=C(C=C3)C(=O)NC(CCC(=O)N(C)C(CCC(=O)O)C(=O)O)C(=O)O)F

Isomeric SMILES

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=CC(=C(C=C3)C(=O)N[C@@H](CCC(=O)N(C)[C@@H](CCC(=O)O)C(=O)O)C(=O)O)F

InChI

InChI=1S/C32H34FN5O9/c1-5-12-38(16-19-14-22-25(13-17(19)2)34-18(3)35-30(22)43)20-6-7-21(23(33)15-20)29(42)36-24(31(44)45)8-10-27(39)37(4)26(32(46)47)9-11-28(40)41/h1,6-7,13-15,24,26H,8-12,16H2,2-4H3,(H,36,42)(H,40,41)(H,44,45)(H,46,47)(H,34,35,43)/t24-,26-/m0/s1