(4S-(4R*,7S*,8R*,11R*,18R*))-7,11-dimethyl-4-(1-methylethyl)-18-(phenylmethyl)-6-Oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo(17.2.1.15,8.112,15)tetracosa-5(24),12(23),19(22)-triene-2,9,16-trione
[CAS# 120853-13-6]

Identification

• Name: (4S-(4R*,7S*,8R*,11R*,18R*))-7,11-dimethyl-4-(1-methylethyl)-18-(phenylmethyl)-6-Oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo(17.2.1.15,8.112,15)tetracosa-5(24),12(23),19(22)-triene-2,9,16-trione
• Synonyms: Bistratamide A
• Molecular Formula: C₂₇H₃₄N₆O₄S₂
• Molecular Weight: 570.72
• CAS Registry Number: 120853-13-6
• SMILES: [C@H]14N=C(O[C@@H]1C)[C@@H](NC(=O)C2N=C(SC2)[C@@H](NC(=O)C3N=C(SC3)[C@@H](NC4=O)C)CC5=CC=CC=C5)C(C)C
• InChI: 1S/C27H34N6O4S2/c1-13(2)20-25-33-21(15(4)37-25)24(36)28-14(3)26-30-18(11-38-26)22(34)29-17(10-16-8-6-5-7-9-16)27-31-19(12-39-27)23(35)32-20/h5-9,13-15,17-21H,10-12H2,1-4H3,(H,28,36)(H,29,34)(H,32,35)/t14-,15+,17-,18?,19?,20-,21-/m0/s1
• InChIKey: WNSIWZVQPOAVNY-XKYJWWAMSA-N

Properties

• Density: 1.518g/cm³ (Cal.)
• Boiling point: 873.274°C at 760 mmHg (Cal.)
• Flash point: 481.939°C (Cal.)