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Substance Name: Scotophobin
RN: 33579-45-2
UNII: 1GK8Y411DQ
InChIKey: JBJPODJOGAFSNE-FMJYRCEQSA-N

Molecular Formula

  • C62-H97-N23-O26

Molecular Weight

  • 1580.5833
 
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Names and Synonyms

Name of Substance

  • Scotophobin

Synonym

  • UNII-1GK8Y411DQ

Systematic Name

  • Scotophobin (rat)

Registry Numbers

CAS Registry Number

  • 33579-45-2

FDA UNII

  • 1GK8Y411DQ

System Generated Number

  • 0033579452

Structure Descriptors

InChI

1S/C62H97N23O26/c1-27(52(101)78-34(11-15-43(67)91)57(106)79-32(9-13-41(65)89)54(103)73-22-47(95)72-23-48(96)77-36(51(71)100)18-28-5-7-29(88)8-6-28)75-62(111)40(26-87)85-56(105)31(4-2-3-17-63)76-49(97)24-74-55(104)33(10-14-42(66)90)80-58(107)35(12-16-44(68)92)81-59(108)37(19-45(69)93)83-60(109)38(20-46(70)94)84-61(110)39(21-50(98)99)82-53(102)30(64)25-86/h5-8,27,30-40,86-88H,2-4,9-26,63-64H2,1H3,(H2,65,89)(H2,66,90)(H2,67,91)(H2,68,92)(H2,69,93)(H2,70,94)(H2,71,100)(H,72,95)(H,73,103)(H,74,104)(H,75,111)(H,76,97)(H,77,96)(H,78,101)(H,79,106)(H,80,107)(H,81,108)(H,82,102)(H,83,109)(H,84,110)(H,85,105)(H,98,99)/t27-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1

InChIKey

JBJPODJOGAFSNE-FMJYRCEQSA-N

Smiles

C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)N