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Substance Name: Substance P, tyr(8)-
RN: 55614-10-3
InChIKey: MSKLWPIJUANGPO-CUZNLEPHSA-N

Molecular Formula

  • C63-H98-N18-O14-S

Molecular Weight

  • 1363.6452
 
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Names and Synonyms

Name of Substance

  • Substance P, tyr(8)-

Synonyms

  • 8-Tyr-substance P
  • Substance P, tyrosine(8)-

Systematic Name

  • Substance P (peptide), 8-L-tyrosine-

Registry Numbers

CAS Registry Number

  • 55614-10-3

System Generated Number

  • 0055614103

Structure Descriptors

InChI

1S/C63H98N18O14S/c1-36(2)32-45(57(90)74-41(53(68)86)26-31-96-3)73-52(85)35-72-54(87)46(34-38-18-20-39(82)21-19-38)78-58(91)47(33-37-12-5-4-6-13-37)79-56(89)42(22-24-50(66)83)75-55(88)43(23-25-51(67)84)76-59(92)49-17-11-30-81(49)62(95)44(15-7-8-27-64)77-60(93)48-16-10-29-80(48)61(94)40(65)14-9-28-71-63(69)70/h4-6,12-13,18-21,36,40-49,82H,7-11,14-17,22-35,64-65H2,1-3H3,(H2,66,83)(H2,67,84)(H2,68,86)(H,72,87)(H,73,85)(H,74,90)(H,75,88)(H,76,92)(H,77,93)(H,78,91)(H,79,89)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1

InChIKey

MSKLWPIJUANGPO-CUZNLEPHSA-N

Smiles

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)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)CCCNC(=N)N)C(=O)N