O-Methylsuccinyl-Alanyl-Alanyl-Prolyl-Borophenylalanine
[CAS# 97590-10-8]

Identification

• Name: O-Methylsuccinyl-Alanyl-Alanyl-Prolyl-Borophenylalanine
• Synonyms: [1-[(2S)-2-[[(2S)-2-[[(2S)-2-[(4-Methoxy-4-Oxo-Butanoyl)Amino]Propanoyl]Amino]Propanoyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Phenyl-Ethyl]Boronic Acid; [1-[(2S)-2-[[[(2S)-2-[[(2S)-2-[(4-Methoxy-1,4-Dioxobutyl)Amino]-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-Oxomethyl]
• Molecular Formula: C₂₄H₃₅BN₄O₈
• Molecular Weight: 518.37
• CAS Registry Number: 97590-10-8
• SMILES: [C@H]1(C(=O)NC([C@@H](NC([C@@H](NC(CCC(=O)OC)=O)C)=O)C)=O)N(CCC1)C(CC2=CC=CC=C2)B(O)O
• InChI: 1S/C24H35BN4O8/c1-15(26-20(30)11-12-21(31)37-3)22(32)27-16(2)23(33)28-24(34)18-10-7-13-29(18)19(25(35)36)14-17-8-5-4-6-9-17/h4-6,8-9,15-16,18-19,35-36H,7,10-14H2,1-3H3,(H,26,30)(H,27,32)(H,28,33,34)/t15-,16-,18-,19?/m0/s1
• InChIKey: DQJJUGCBQDHLMJ-KUORQNNRSA-N

Properties

• Density: 1.26g/cm³ (Cal.)