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Substance Name: Substance P, sulfoxide-
RN: 66013-34-1
InChIKey: NZFKEHBUMSHONW-KAGFZDTKSA-N

Note

  • Oxidized form of substace p's carboxy-terminal methionine group.

Molecular Formula

  • C63-H98-N18-O14-S

Molecular Weight

  • 1363.6452
 
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Names and Synonyms

Name of Substance

  • Substance P, sulfoxide-

Synonyms

  • SP Sulfoxide
  • Sulfoxide-SP
  • Sulfoxide-substance P

Systematic Name

  • Substance P, 11-(L-2-amino-4-(methylsulfinyl)butanamide)-

Registry Numbers

CAS Registry Number

  • 66013-34-1

System Generated Number

  • 0066013341

Structure Descriptors

InChI

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

InChIKey

NZFKEHBUMSHONW-KAGFZDTKSA-N

Smiles

CC(C)C[C@H](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)CCCNC(=N)N)C(=O)N[C@@H](CCS(=O)C)C(=O)N