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Substance Name: Neuromedin C, ala(1)-leu(9)-psi-(CH2NH)-leu(10)-
RN: 135467-89-9
InChIKey: VGHNJUJKXZEQLP-KSGNLDPESA-N

Molecular Formula

  • C52-H79-N17-O10

Molecular Weight

  • 1102.3051
 
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Names and Synonyms

Name of Substance

  • Neuromedin C, ala(1)-leu(9)-psi-(CH2NH)-leu(10)-

Synonyms

  • 1-Ala-9-leu-psi-(CH2NH)-10-leu-neuromedin C
  • Alpl-nmc
  • Neuromedin C, alanyl(1)-leucyl(9)-psi-methylamino-leucine(10)-

Systematic Name

  • L-Histidinamide, D-alanyl-L-asparaginyl-L-histidyl-L-tryptophyl-L-alanyl-L-valylglycyl-N-(1-(((1-(aminocarbonyl)-3-methylbutyl)amino)methyl)-3-methylbutyl)-, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 135467-89-9

System Generated Number

  • 0135467899

Structure Descriptors

InChI

1S/C52H79N17O10/c1-26(2)13-34(22-59-37(45(55)72)14-27(3)4)64-39(16-32-20-56-24-61-32)51(78)68-43(71)23-60-52(79)44(28(5)6)69-47(74)30(8)63-48(75)38(15-31-19-58-36-12-10-9-11-35(31)36)66-49(76)40(17-33-21-57-25-62-33)67-50(77)41(18-42(54)70)65-46(73)29(7)53/h9-12,19-21,24-30,34,37-41,44,58-59,64H,13-18,22-23,53H2,1-8H3,(H2,54,70)(H2,55,72)(H,56,61)(H,57,62)(H,60,79)(H,63,75)(H,65,73)(H,66,76)(H,67,77)(H,69,74)(H,68,71,78)/t29-,30+,34+,37+,38+,39+,40+,41+,44+/m1/s1

InChIKey

VGHNJUJKXZEQLP-KSGNLDPESA-N

Smiles

C[C@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NC(=O)[C@H](Cc4c[nH]cn4)N[C@@H](CC(C)C)CN[C@@H](CC(C)C)C(=O)N)N