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Substance Name: Neurokinin A, ala(5)-aib(8)-leu(10)-
RN: 127627-57-0
InChIKey: OESNOXDYPOQXIK-FPZIQTPSSA-N

Molecular Formula

  • C53-H86-N14-O13

Molecular Weight

  • 1127.3474
 
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Names and Synonyms

Name of Substance

  • Neurokinin A, ala(5)-aib(8)-leu(10)-

Synonyms

  • 5-Ala-8-aib-10-leu-neurokinin A
  • Aal-nka
  • Neurokinin A, alanyl(5)-aminoisobutyryl(8)-leucine(10)-

Systematic Name

  • L-Leucinamide, L-histidyl-L-lysyl-L-threonyl-L-alpha-aspartyl-L-alanyl-L-phenylalanyl-L-valyl-2-methylalanyl-L-leucyl-

Registry Numbers

CAS Registry Number

  • 127627-57-0

System Generated Number

  • 0127627570

Structure Descriptors

InChI

1S/C53H86N14O13/c1-27(2)20-36(62-47(75)37(21-28(3)4)64-52(80)53(9,10)56)49(77)67-50(78)41(29(5)6)65-48(76)38(22-32-16-12-11-13-17-32)61-43(71)30(7)59-46(74)39(24-40(69)70)63-51(79)42(31(8)68)66-45(73)35(18-14-15-19-54)60-44(72)34(55)23-33-25-57-26-58-33/h11-13,16-17,25-31,34-39,41-42,68H,14-15,18-24,54-56H2,1-10H3,(H,57,58)(H,59,74)(H,60,72)(H,61,71)(H,62,75)(H,63,79)(H,64,80)(H,65,76)(H,66,73)(H,69,70)(H,67,77,78)/t30-,31+,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1

InChIKey

OESNOXDYPOQXIK-FPZIQTPSSA-N

Smiles

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]cn2)N)O