(3aR-(2(S*),3aalpha,4alpha,6alpha,7aalpha))-N-((1,1-Dimethylethoxy)Carbonyl)-D-Phenylalanyl-N-(4-((Aminoiminomethyl)Amino)-1-(Hexahydro-3a,5,5-Trimethyl-4,6-Methano-1,3,2-Benzodioxaborol-2-Yl)Butyl)-L-Prolinamide
[CAS# 130982-44-4]

Identification

• Name: (3aR-(2(S*),3aalpha,4alpha,6alpha,7aalpha))-N-((1,1-Dimethylethoxy)Carbonyl)-D-Phenylalanyl-N-(4-((Aminoiminomethyl)Amino)-1-(Hexahydro-3a,5,5-Trimethyl-4,6-Methano-1,3,2-Benzodioxaborol-2-Yl)Butyl)-L-Prolinamide
• Synonyms: Boc-Phe-Pro-Boroarg-Oh; L-Prolinamide, N-((1,1-Dimethylethoxy)Carbonyl)-D-Phenylalanyl-N-(4-((Aminoiminomethyl)Amino)-1-(Hexahydro-3A,5,5-Trimethyl-4,6-Mthano-1,3,2-Benzodioxaborol-2-Yl)Butyl)-, (3Ar-(2(S*),3Aalpha,4Alpha,6Alpha,7Aalpha))-; T-Butyloxycarbonyl-Phenylalanyl-Prolyl-Boroarginine-C10h16
• Molecular Formula: C₃₄H₅₃BN₆O₆
• Molecular Weight: 652.64
• CAS Registry Number: 130982-44-4
• SMILES: [C@H]12C([C@H](C1)C[C@H]3OB(O[C@@]23C)C(N4[C@](CCC4)(C(=O)[C@H](NC(OC(C)(C)C)=O)CC5=CC=CC=C5)C(=O)N)CCCN=C(N)N)(C)C
• InChI: 1S/C34H53BN6O6/c1-31(2,3)45-30(44)40-23(18-21-12-8-7-9-13-21)27(42)34(28(36)43)15-11-17-41(34)26(14-10-16-39-29(37)38)35-46-25-20-22-19-24(32(22,4)5)33(25,6)47-35/h7-9,12-13,22-26H,10-11,14-20H2,1-6H3,(H2,36,43)(H,40,44)(H4,37,38,39)/t22-,23-,24-,25-,26?,33+,34-/m1/s1
• InChIKey: DBZJJKRAENLJIA-XOQVERFLSA-N

Properties

• Density: 1.308g/cm³ (Cal.)