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Substance Name: Histogranin
RN: 150045-04-8
InChIKey: PXOVBYBXCFRNAW-GDBJWOEXSA-N

Note

  • NMDA receptor antagonist isolated from bovine adrenal medulla.

Molecular Formula

  • C78-H119-N21-O21-S

Molecular Weight

  • 1718.99
 
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Names and Synonyms

Name of Substance

  • Histogranin

Systematic Name

  • Histogranin (ox)

Registry Numbers

CAS Registry Number

  • 150045-04-8

System Generated Number

  • 0150045048

Structure Descriptors

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

Smiles

N([C@H](C(N[C@@H](C)C(N[C@@H](CC(C)C)C(=O)N[C@H](C(NCC(N[C@H](C(NCC(N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@@H](Cc1ccc(cc1)O)C(=O)NCC(N[C@@H](Cc1ccccc1)C(=O)O)=O)=O)CC(C)C)[C@@H](C)O)=O)CCCNC(N)=N)=O)=O)CCC(N)=O)=O)=O)CCCCN)=O)=O)Cc1ccc(O)cc1)C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCSC