(2S)-5-Amino-2-[[4-[2-[(6R)-2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Quinazolin-6-Yl]Ethyl]Benzoyl]Amino]Pentanoic Acid
[CAS# 118537-34-1]

Identification

• Name: (2S)-5-Amino-2-[[4-[2-[(6R)-2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Quinazolin-6-Yl]Ethyl]Benzoyl]Amino]Pentanoic Acid
• Synonyms: (2S)-5-Amino-2-[[[4-[2-[(6R)-2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Quinazolin-6-Yl]Ethyl]Phenyl]-Oxomethyl]Amino]Pentanoic Acid; (2S)-5-Amino-2-[[4-[2-[(6R)-2-Amino-4-Keto-5,6,7,8-Tetrahydro-1H-Quinazolin-6-Yl]Ethyl]Benzoyl]Amino]Valeric Acid; (2S)-5-Amino-2-[[4-[2-[(6R)-2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Quinazolin-6-Yl]Ethyl]Phenyl]Carbonylamino]Pentanoic Acid
• Molecular Formula: C₂₂H₂₉N₅O₄
• Molecular Weight: 427.50
• CAS Registry Number: 118537-34-1
• SMILES: [C@@H]2(CC1=C(NC(=NC1=O)N)CC2)CCC3=CC=C(C(=O)N[C@H](C(=O)O)CCCN)C=C3
• InChI: 1S/C22H29N5O4/c23-11-1-2-18(21(30)31)25-19(28)15-8-5-13(6-9-15)3-4-14-7-10-17-16(12-14)20(29)27-22(24)26-17/h5-6,8-9,14,18H,1-4,7,10-12,23H2,(H,25,28)(H,30,31)(H3,24,26,27,29)/t14-,18+/m1/s1
• InChIKey: FLERDSAOIKEJCT-KDOFPFPSSA-N