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

Systemtic Name: (2S)-2-[[5-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]pyridin-2-yl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]pyridine-2-carbonyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-pyridinyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]pyridine-2-carbonyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[5-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]picolinoyl]amino]glutaric acid Formula: C24H23N5O6 MolecularWeight: 477.46932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N5O6/c1-3-10-29(13-15-4-6-18-17(11-15)22(32)27-14(2)26-18)16-5-7-19(25-12-16)23(33)28-20(24(34)35)8-9-21(30)31/h1,4-7,11-12,20H,8-10,13H2,2H3,(H,28,33)(H,30,31)(H,34,35)(H,26,27,32)/t20-/m0/s1