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Substance Name: CDR1.AME(23-28)
RN: 176434-87-0
InChIKey: GQWNXKZRPOGBFR-NRNMYEMYSA-N

Molecular Formula

  • C64-H78-N14-O14-S2

Molecular Weight

  • 1331.5362
 
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Names and Synonyms

Results Name

  • CDR1.AME(23-28)

Synonyms

  • CDR1.AME(23-28)
  • FCSIQFHWCY (Cyclized/Cysteine-oxidized)

Systematic Name

  • L-Tyrosine, L-phenylalanyl-L-cysteinyl-L-seryl-L-isoleucyl-L-glutaminyl-L-phenylalanyl-L-histidyl-L-tryptophyl-L-cysteinyl-, cyclic (2-9)-disulfide

Registry Numbers

CAS Registry Number

  • 176434-87-0

System Generated Number

  • 0176434870

Structure Descriptors

InChI

1S/C64H78N14O14S2/c1-3-35(2)54-63(90)70-45(22-23-53(66)81)56(83)71-46(25-37-14-8-5-9-15-37)57(84)73-48(28-40-30-67-34-69-40)59(86)72-47(27-39-29-68-44-17-11-10-16-42(39)44)58(85)77-52(61(88)74-49(64(91)92)26-38-18-20-41(80)21-19-38)33-94-93-32-51(62(89)75-50(31-79)60(87)78-54)76-55(82)43(65)24-36-12-6-4-7-13-36/h4-21,29-30,34-35,43,45-52,54,68,79-80H,3,22-28,31-33,65H2,1-2H3,(H2,66,81)(H,67,69)(H,70,90)(H,71,83)(H,72,86)(H,73,84)(H,74,88)(H,75,89)(H,76,82)(H,77,85)(H,78,87)(H,91,92)/t35-,43-,45-,46-,47-,48-,49-,50-,51+,52-,54?/m0/s1

InChIKey

GQWNXKZRPOGBFR-NRNMYEMYSA-N

Smiles

CC[C@H](C)C1NC(=O)[C@H](CO)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CCC(=O)N)NC1=O)C(=O)N[C@@H](Cc6ccc(O)cc6)C(=O)O)NC(=O)[C@@H](N)Cc7ccccc7