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Substance Name: Aborycin
RN: 152835-17-1
InChIKey: FHQRLPHOFHPTCX-CRSKGYQRSA-N

Molecular Formula

  • C97-H131-N23-O26-S4

Molecular Weight

  • 2163.5009
 
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Names and Synonyms

Results Name

  • Aborycin

Name of Substance

  • RP 71955

Synonyms

  • Aborycin
  • L-Cysteinyl-L-leucylglycyl-L-isoleucylglycyl-L-seryl-L-cysteinyl-L-asparaginyl-L-alpha-aspartyl-L-phenylalanyl-L-alanylglycyl-L-cysteinylglycyl-L-tyrosyl-L-alanyl-L-valyl-L-valyl-L-cysteinyl-L-phenylalanyl-L-tryptophen cyclic(9-1)-peptid
  • RP 71955
  • RP-71955
  • Siamycin III

Systematic Name

  • L-Tryptophen, L-cysteinyl-L-leucylglycyl-L-isoleucylglycyl-L-seryl-L-cysteinyl-L-asparaginyl-L-alpha-aspartyl-L-phenylalanyl-L-alanylglycyl-L-cysteinylglycyl-L-tyrosyl-L-alanyl-L-valyl-L-valyl-L-cysteinyl-L-phenylalanyl-, cyclic(9-1)-peptid

Registry Numbers

CAS Registry Number

  • 152835-17-1

System Generated Number

  • 0152835171

Structure Descriptors

InChI

1S/C97H131N23O26S4/c1-11-50(8)80-93(141)104-40-75(126)108-68(42-121)90(138)113-63(31-53-20-14-12-15-21-53)87(135)105-51(9)81(129)101-38-76(127)110-69-44-149-150-45-70(91(139)112-61(30-47(2)3)84(132)102-41-77(128)118-80)109-73(124)36-67-97(145)146-96(144)66(34-56-37-100-60-25-19-18-24-58(56)60)115-88(136)64(32-54-22-16-13-17-23-54)114-92(140)71(46-148-147-43-59(98)83(131)111-65(35-72(99)123)89(137)116-67)117-94(142)78(48(4)5)120-95(143)79(49(6)7)119-82(130)52(10)106-86(134)62(107-74(125)39-103-85(69)133)33-55-26-28-57(122)29-27-55/h12-29,37,47-52,59,61-71,78-80,100,121-122H,11,30-36,38-46,98H2,1-10H3,(H2,99,123)(H,101,129)(H,102,132)(H,103,133)(H,104,141)(H,105,135)(H,106,134)(H,107,125)(H,108,126)(H,109,124)(H,110,127)(H,111,131)(H,112,139)(H,113,138)(H,114,140)(H,115,136)(H,116,137)(H,117,142)(H,118,128)(H,119,130)(H,120,143)/t50-,51-,52-,59-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,78-,79-,80-/m0/s1

InChIKey

FHQRLPHOFHPTCX-CRSKGYQRSA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)NCC(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]5CSSC[C@H](N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N2)C(=O)OC(=O)[C@H](Cc6c[nH]c7ccccc67)NC(=O)[C@H](Cc8ccccc8)NC5=O