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Substance Name: AMY-101
RN: 1427001-89-5
UNII: 4Z4DFR9BX7
InChIKey: MUSGYEMSJUFFHT-UWABRSFTSA-N

Molecular Formula

  • C83-H117-N23-O18-S2

Molecular Weight

  • 1789.0904
 
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Names and Synonyms

Name of Substance

  • AMY-101

Synonyms

  • AMY-101
  • Compstatin 40
  • Compstatin analog peptide CP40
  • CP40
  • L-Isoleucinamide, D-tyrosyl-L-isoleucyl-L-cysteinyl-L-valyl-1-methyl-L-tryptophyl-L-glutaminyl-L-alpha-aspartyl-L-tryptophyl-N-methylglycyl-L-alanyl-L-histidyl-L-arginyl-L-cysteinyl-N2-methyl-, cyclic (3->13)-disulfide
  • S3,S13-Cyclo(D-tyrolsyl-L-isoleucyl-L-cysteinyl-L-valyl-1-methyl-L-tryptophyl-L-glutaminyl-L-aspartyl-L-tryptophyl-N-methyl-L-glycyl-L-alanyl-L-histidyl-L-arginyl-L-cysteinyl-N-methyl-L-isoleucinamide)
  • UNII-4Z4DFR9BX7

Registry Numbers

CAS Registry Number

  • 1427001-89-5

FDA UNII

  • 4Z4DFR9BX7

System Generated Number

  • 1427001895

Structure Descriptors

InChI

1S/C83H117N23O18S2/c1-11-43(5)68(103-72(114)53(84)30-46-23-25-50(107)26-24-46)80(122)100-61-39-125-126-40-62(82(124)106(10)69(70(86)112)44(6)12-2)101-73(115)55(21-17-29-90-83(87)88)94-76(118)58(33-49-36-89-41-92-49)96-71(113)45(7)93-65(109)38-105(9)81(123)60(31-47-35-91-54-20-15-13-18-51(47)54)99-77(119)59(34-66(110)111)97-74(116)56(27-28-64(85)108)95-75(117)57(98-79(121)67(42(3)4)102-78(61)120)32-48-37-104(8)63-22-16-14-19-52(48)63/h13-16,18-20,22-26,35-37,41-45,53,55-62,67-69,91,107H,11-12,17,21,27-34,38-40,84H2,1-10H3,(H2,85,108)(H2,86,112)(H,89,92)(H,93,109)(H,94,118)(H,95,117)(H,96,113)(H,97,116)(H,98,121)(H,99,119)(H,100,122)(H,101,115)(H,102,120)(H,103,114)(H,110,111)(H4,87,88,90)/t43-,44-,45-,53+,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-,69-/m0/s1

InChIKey

MUSGYEMSJUFFHT-UWABRSFTSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc6cn(C)c7ccccc67)NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N