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Substance Name: Substance P, tyr(1)-nle(11)-
RN: 86227-34-1
InChIKey: GDDZSDUZFLPWPD-JPMZGXCVSA-N

Molecular Formula

  • C67-H97-N15-O14

Molecular Weight

  • 1336.5943
 
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Names and Synonyms

Name of Substance

  • Substance P, tyr(1)-nle(11)-

Synonyms

  • 1-Tyr-11-nle-substance P
  • 1-Tyrosyl-11-norleucine-substance P
  • Substance P, tyrosyl(1)-norleucine(11)-

Systematic Name

  • Substance P, 1-L-tyrosine-11-L-noarleucinamide-

Registry Numbers

CAS Registry Number

  • 86227-34-1

System Generated Number

  • 0086227341

Structure Descriptors

InChI

1S/C67H97N15O14/c1-4-5-20-46(58(72)87)75-62(91)50(35-40(2)3)74-57(86)39-73-59(88)51(37-41-16-8-6-9-17-41)79-63(92)52(38-42-18-10-7-11-19-42)80-61(90)47(28-30-55(70)84)76-60(89)48(29-31-56(71)85)77-64(93)54-23-15-34-82(54)67(96)49(21-12-13-32-68)78-65(94)53-22-14-33-81(53)66(95)45(69)36-43-24-26-44(83)27-25-43/h6-11,16-19,24-27,40,45-54,83H,4-5,12-15,20-23,28-39,68-69H2,1-3H3,(H2,70,84)(H2,71,85)(H2,72,87)(H,73,88)(H,74,86)(H,75,91)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,90)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1

InChIKey

GDDZSDUZFLPWPD-JPMZGXCVSA-N

Smiles

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](N)Cc5ccc(O)cc5)C(=O)N