Berlopentin
[CAS# 91418-71-2]

Identification

• Name: Berlopentin
• Synonyms: (4S)-4-[[(2S)-6-Acetamido-2-[[(2S)-2-Acetamido-5-Guanidino-Pentanoyl]Amino]Hexanoyl]Amino]-5-[[(1S)-1-[[(1S)-2-Hydroxy-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S)-6-Acetamido-2-[[(2S)-2-Acet
• Molecular Formula: C₃₅H₅₅N₉O₁₁
• Molecular Weight: 777.87
• CAS Registry Number: 91418-71-2
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)C)CCCN=C(N)N)(CCCCNC(=O)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
• InChI: 1S/C35H55N9O11/c1-19(2)29(33(53)43-27(34(54)55)18-22-10-12-23(47)13-11-22)44-32(52)26(14-15-28(48)49)42-31(51)25(8-5-6-16-38-20(3)45)41-30(50)24(40-21(4)46)9-7-17-39-35(36)37/h10-13,19,24-27,29,47H,5-9,14-18H2,1-4H3,(H,38,45)(H,40,46)(H,41,50)(H,42,51)(H,
• InChIKey: KSWRINCJIKCVPA-RRUDZPKISA-N

Properties

• Density: 1.392g/cm³ (Cal.)