Histogranin (Ox)
[CAS# 150045-04-8]

Identification

• Name: Histogranin (Ox)
• Synonyms: Histogranin
• Molecular Formula: C₇₈H₁₁₉N₂₁O₂₁S
• Molecular Weight: 1718.99
• CAS Registry Number: 150045-04-8
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)CC(=O)N)CC1=CC=C(O)C=C1)C)CC(C)C)CCCCN)CCC(=O)N)CCCNC(=N)N)(C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)CC3=CC=C(O)C=C3)CC(C)C)[C@H](O)C
• InChI: 1S/C78H119N21O21S/c1-41(2)32-54(94-66(108)43(5)89-72(114)57(35-47-20-24-49(102)25-21-47)97-75(117)58(37-61(82)104)95-67(109)50(80)28-31-121-7)73(115)93-51(16-11-12-29-79)68(110)86-39-63(106)91-53(26-27-60(81)103)69(111)87-38-62(105)90-52(17-13-30-85-78(83)84)71(113)99-65(44(6)100)76(118)98-55(33-42(3)4)74(116)96-56(34-46-18-22-48(101)23-19-46)70(112)88-40-64(107)92-59(77(119)120)36-45-14-9-8-10-15-45/h8-10,14-15,18-25,41-44,50-59,65,100-102H,11-13,16-17,26-40,79-80H2,1-7H3,(H2,81,103)(H2,82,104)(H,86,110)(H,87,111)(H,88,112)(H,89,114)(H,90,105)(H,91,106)(H,92,107)(H,93,115)(H,94,108)(H,95,109)(H,96,116)(H,97,117)(H,98,118)(H,99,113)(H,119,120)(H4,83,84,85)/t43-,44+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
• InChIKey: PXOVBYBXCFRNAW-GDBJWOEXSA-N

Properties

• Density: 1.43g/cm³ (Cal.)