epsilon-Biotinamidocaproyl-beta-ala-beta-ala-lisinopril
[CAS# 130007-46-4]

Identification

• Name: epsilon-Biotinamidocaproyl-beta-ala-beta-ala-lisinopril
• Synonyms: (2S)-1-[(2S)-6-[3-[3-[6-[5-[(3Ar,6S,6As)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]Pentanoylamino]Hexanoylamino]Propanoylamino]Propanoylamino]-2-[(1-Carboxy-3-Phenyl-Propyl)Amino]Hexanoyl]Pyrrolidine-2-Carboxylic Acid; (2S)-1-[(2S)-6-[[3-[[3-[[6-[[5-[(3Ar,6S,6As)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]-1-Oxopentyl]Amino]-1-Oxohexyl]Amino]-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-2-[(1-Carboxy-3-Phenylpropyl)Amino]-1-Oxohexyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[(2S)-6-[3-[3-[6-[5-[(3Ar,6S,6As)-2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]Pentanoylamino]Hexanoylamino]Propanoylamino]Propanoylamino]-2-[(1-Carboxy-3-Phenyl-Propyl)Amino]Hexanoyl]Proline
• Molecular Formula: C₄₃H₆₆N₈O₁₀S
• Molecular Weight: 887.10
• CAS Registry Number: 130007-46-4
• SMILES: [C@H]1(C(=O)O)N(CCC1)C([C@@H](NC(CCC2=CC=CC=C2)C(=O)O)CCCCNC(CCNC(CCNC(CCCCCNC(CCCC[C@H]4[C@@H]3[C@@H](NC(N3)=O)CS4)=O)=O)=O)=O)=O
• InChI: 1S/C43H66N8O10S/c52-35(18-7-6-16-34-39-32(28-62-34)49-43(61)50-39)44-23-9-2-5-17-36(53)46-25-22-38(55)47-26-21-37(54)45-24-10-8-14-30(40(56)51-27-11-15-33(51)42(59)60)48-31(41(57)58)20-19-29-12-3-1-4-13-29/h1,3-4,12-13,30-34,39,48H,2,5-11,14-28H2,(H,44,52)(H,45,54)(H,46,53)(H,47,55)(H,57,58)(H,59,60)(H2,49,50,61)/t30-,31?,32-,33-,34-,39-/m0/s1
• InChIKey: FYQJXCRPLDUHTH-KQHUPIQKSA-N

Properties

• Density: 1.247g/cm³ (Cal.)
• Boiling point: 1273.862°C at 760 mmHg (Cal.)
• Flash point: 724.206°C (Cal.)