Axinastatin 1
[CAS# 137647-92-8]

Identification

• Name: Axinastatin 1
• Synonyms: Cyclo(Asn-Pro-Phe-Val-Val-Pro-Val)
• Molecular Formula: C₃₈H₅₆N₈O₈
• Molecular Weight: 752.91
• CAS Registry Number: 137647-92-8
• SMILES: [C@@H]14N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)CC(=O)N)CCC2)CC3=CC=CC=C3)C(C)C)C(C)C)CCC4
• InChI: 1S/C38H56N8O8/c1-20(2)29-35(51)41-25(19-28(39)47)37(53)45-16-10-14-26(45)33(49)40-24(18-23-12-8-7-9-13-23)32(48)42-30(21(3)4)36(52)44-31(22(5)6)38(54)46-17-11-15-27(46)34(50)43-29/h7-9,12-13,20-22,24-27,29-31H,10-11,14-19H2,1-6H3,(H2,39,47)(H,40,49)(H,41,51)(H,42,48)(H,43,50)(H,44,52)/t24-,25-,26-,27-,29-,30-,31-/m0/s1
• InChIKey: PICZCWCKOLHDOJ-GHTSNYPWSA-N

Properties

• Density: 1.285g/cm³ (Cal.)
• Boiling point: 1162.535°C at 760 mmHg (Cal.)
• Flash point: 656.877°C (Cal.)