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Substance Name: Substance P, biotin-nte-arg(3)-
RN: 137084-95-8
InChIKey: PFCMPWQJTZIJTL-MYECVGNHSA-N

Molecular Formula

  • C90-H137-N29-O22-S

Molecular Weight

  • 2009.32
 
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Names and Synonyms

Name of Substance

  • Substance P, biotin-nte-arg(3)-

Synonyms

  • Biotin-lys-tyr-gly-gly-gly-gly-gly-gly-arg-pro-arg-pro-gln-gln-phe-phe-gly-leu-met-amide
  • Biotin-nte-3-arg-substance P
  • Substance P, biotin-nte-arginine(3)-

Systematic Name

  • L-Methioninamide, L-lysyl-L-tyrosylglycylglycylglycylglycylglycylglycyl-L-arginyl-L-prolyl-L-arginyl-L-prolyl-L-glutaminyl-L-glutaminyl-L-phenylalanyl-L-phenylalnylglycyl-L-leucyl-

Registry Numbers

CAS Registry Number

  • 137084-95-8

System Generated Number

  • 0137084958

Structure Descriptors

InChI

1S/C90H137N29O22S/c1-51(2)40-62(83(136)111-57(77(95)130)33-39-142-3)110-76(129)50-108-80(133)64(41-52-16-6-4-7-17-52)116-84(137)65(42-53-18-8-5-9-19-53)117-82(135)58(29-31-68(93)121)112-81(134)59(30-32-69(94)122)113-85(138)66-23-14-38-119(66)88(141)61(22-13-36-101-90(98)99)114-86(139)67-24-15-37-118(67)87(140)60(21-12-35-100-89(96)97)109-75(128)49-106-73(126)47-104-71(124)45-102-70(123)44-103-72(125)46-105-74(127)48-107-79(132)63(43-54-25-27-55(120)28-26-54)115-78(131)56(92)20-10-11-34-91/h4-9,16-19,25-28,51,56-67,120H,10-15,20-24,29-50,91-92H2,1-3H3,(H2,93,121)(H2,94,122)(H2,95,130)(H,102,123)(H,103,125)(H,104,124)(H,105,127)(H,106,126)(H,107,132)(H,108,133)(H,109,128)(H,110,129)(H,111,136)(H,112,134)(H,113,138)(H,114,139)(H,115,131)(H,116,137)(H,117,135)(H4,96,97,100)(H4,98,99,101)/t56-,57+,58?,59-,60-,61-,62-,63+,64-,65-,66-,67?/m0/s1

InChIKey

PFCMPWQJTZIJTL-MYECVGNHSA-N

Smiles

N[C@H](C(=O)N[C@@H](C(NCC(NCC(NCC(NCC(NCC(NCC(N[C@H](C(N1[C@@H](C(N[C@H](C(N2CCC[C@H]2C(N[C@H](C(N[C@@H](C(N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(N[C@H](CCSC)C(=O)N)=O)=O)CCC(=O)N)=O)CCC(=O)N)=O)=O)CCCNC(N)=N)=O)CCC1)=O)CCCNC(N)=N)=O)=O)=O)=O)=O)=O)=O)Cc1ccc(cc1)O)CCCCN