(2S)-2-[[4-[(2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Quinazolin-6-Yl)Methyl-Prop-2-Ynylamino]Benzoyl]Amino]Pentanedioic Acid
[CAS# 107174-40-3]

Identification

• Name: (2S)-2-[[4-[(2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Quinazolin-6-Yl)Methyl-Prop-2-Ynylamino]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[4-[(2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Quinazolin-6-Yl)Methyl-Prop-2-Ynyl-Amino]Benzoyl]Amino]Pentanedioic Acid; (2S)-2-[[[4-[(2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Quinazolin-6-Yl)Methyl-Prop-2-Ynylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[(2-Amino-4-Keto-5,6,7,8-Tetrahydro-1H-Quinazolin-6-Yl)Methyl-Propargyl-Amino]Benzoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₄H₂₇N₅O₆
• Molecular Weight: 481.51
• CAS Registry Number: 107174-40-3
• SMILES: [C@@H](NC(=O)C3=CC=C(N(CC2CC1=C(NC(=NC1=O)N)CC2)CC#C)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C24H27N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,4-7,14,19H,3,8-13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t14?,19-/m0/s1
• InChIKey: ZOLYPGWZGDQXCC-PKDNWHCCSA-N