(2R)-2-[[5-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]thiophen-2-yl]carbonylamino]pentanedioic acid

Systemtic Name: (2R)-2-[[5-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]thiophen-2-yl]carbonylamino]pentanedioic acid Openeye Name: (2R)-2-[[5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]thiophene-2-carbonyl]amino]pentanedioic acid CAS Name: (2R)-2-[[[5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-thiophenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2R)-2-[[5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]thiophene-2-carbonyl]amino]pentanedioic acid Traditional Name: (2R)-2-[[5-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]thiophene-2-carbonyl]amino]glutaric acid Formula: C23H22N4O6S MolecularWeight: 482.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(S3)C(=O)N[C@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C23H22N4O6S/c1-3-10-27(12-14-4-5-16-15(11-14)21(30)25-13(2)24-16)19-8-7-18(34-19)22(31)26-17(23(32)33)6-9-20(28)29/h1,4-5,7-8,11,17H,6,9-10,12H2,2H3,(H,26,31)(H,28,29)(H,32,33)(H,24,25,30)/t17-/m1/s1