(2S)-2-[[4-[2-[(6R)-2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Quinazolin-6-Yl]Ethyl]Benzoyl]Amino]Pentanedioic Acid
[CAS 118537-33-0]

Identification

• Name: (2S)-2-[[4-[2-[(6R)-2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Quinazolin-6-Yl]Ethyl]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[[4-[2-[(6R)-2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Quinazolin-6-Yl]Ethyl]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[2-[(6R)-2-Amino-4-Keto-5,6,7,8-Tetrahydro-1H-Quinazolin-6-Yl]Ethyl]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[2-[(6R)-2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Quinazolin-6-Yl]Ethyl]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₂H₂₆N₄O₆
• Molecular Weight: 442.47
• CAS Registry Number: 118537-33-0
• SMILES: [C@@H]2(CC1=C(NC(=NC1=O)N)CC2)CCC3=CC=C(C(=O)N[C@H](C(=O)O)CCC(=O)O)C=C3
• InChI: 1S/C22H26N4O6/c23-22-25-16-8-5-13(11-15(16)20(30)26-22)2-1-12-3-6-14(7-4-12)19(29)24-17(21(31)32)9-10-18(27)28/h3-4,6-7,13,17H,1-2,5,8-11H2,(H,24,29)(H,27,28)(H,31,32)(H3,23,25,26,30)/t13-,17+/m1/s1
• InChIKey: TXHRVJYDANXEGJ-DYVFJYSZSA-N