Patellamide D
[CAS# 120853-15-8]

Identification

• Name: Patellamide D
• Synonyms: Ulithiacyclamide, 1,15-De(Dithiobis(Methylene))-8,22-Dide(2-Methylpropyl)-8-Methyl-1,15-Bis(1-Methylpropyl)-22-(Phenylmethyl)-, (1S(S),8R,15S(S),22R)-; C15737
• Molecular Formula: C₃₈H₄₈N₈O₆S₂
• Molecular Weight: 776.97
• CAS Registry Number: 120853-15-8
• SMILES: [C@H]15N=C(O[C@@H]1C)[C@@H](NC(C2=CSC(=N2)[C@H](NC([C@@H]3[C@@H](C)OC(=N3)[C@@H](NC(C4=CSC(=N4)[C@H](NC5=O)C)=O)[C@H](CC)C)=O)CC6=CC=CC=C6)=O)[C@H](CC)C
• InChI: 1S/C38H48N8O6S2/c1-8-18(3)27-35-45-29(21(6)51-35)33(49)39-20(5)37-41-25(16-53-37)31(47)43-28(19(4)9-2)36-46-30(22(7)52-36)34(50)40-24(15-23-13-11-10-12-14-23)38-42-26(17-54-38)32(48)44-27/h10-14,16-22,24,27-30H,8-9,15H2,1-7H3,(H,39,49)(H,40,50)(H,43,47)(H,44,48)/t18-,19-,20+,21+,22+,24+,27-,28-,29-,30-/m0/s1
• InChIKey: HZUISCIYFHWTKA-WLCQTKGUSA-N

Properties

• Density: 1.455g/cm³ (Cal.)
• Boiling point: 1038.951°C at 760 mmHg (Cal.)
• Flash point: 582.137°C (Cal.)