4-L-Isoleucine-5-L-Leucine-Axinastatin 1
[CAS# 153723-35-4]

Identification

• Name: 4-L-Isoleucine-5-L-Leucine-Axinastatin 1
• Synonyms: Axinastatin 3; Cyclo(Pro-Val-Asn-Pro-Phe-Ile-Leu)
• Molecular Formula: C₄₀H₆₀N₈O₈
• Molecular Weight: 780.96
• CAS Registry Number: 153723-35-4
• SMILES: [C@@H]14N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC2=CC=CC=C2)[C@H](CC)C)CC(C)C)CCC3)C(C)C)CC(=O)N)CCC4
• InChI: 1S/C40H60N8O8/c1-7-24(6)33-38(54)43-27(19-22(2)3)39(55)48-18-12-16-30(48)36(52)45-32(23(4)5)37(53)44-28(21-31(41)49)40(56)47-17-11-15-29(47)35(51)42-26(34(50)46-33)20-25-13-9-8-10-14-25/h8-10,13-14,22-24,26-30,32-33H,7,11-12,15-21H2,1-6H3,(H2,41,49)(H,42,51)(H,43,54)(H,44,53)(H,45,52)(H,46,50)/t24-,26-,27-,28-,29-,30-,32+,33-/m0/s1
• InChIKey: ANLDPEXRVVIABH-WUUSPZRJSA-N

Properties

• Density: 1.264g/cm³ (Cal.)
• Boiling point: 1163.068°C at 760 mmHg (Cal.)
• Flash point: 657.2°C (Cal.)