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Substance Name: Substance P, tyr(0)-(4'-N3)phe(8)-nle(11)-
RN: 112396-65-3
InChIKey: NFJSTDGVSUMKHD-BBFDPRBZSA-N

Molecular Weight

  • 1533.7952
 
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Names and Synonyms

Name of Substance

  • Substance P, tyr(0)-(4'-N3)phe(8)-nle(11)-

Synonyms

  • Substance P, tyrosyl(0)-4'-azidophenylalanyl(8)-norleucine(11)-
  • T-N3-P-N-SP
  • Tyr-8-(4'-N3)phe-11-nle-substance P

Registry Numbers

CAS Registry Number

  • 112396-65-3

System Generated Number

  • 0112396653

Structure Descriptors

InChI

1S/C73H108N22O15/c1-4-5-16-49(62(78)100)85-67(105)54(37-42(2)3)84-61(99)41-83-64(102)55(40-45-21-25-46(26-22-45)92-93-81)90-68(106)56(39-43-14-7-6-8-15-43)91-66(104)50(29-31-59(76)97)86-65(103)51(30-32-60(77)98)87-69(107)57-19-12-35-94(57)71(109)52(17-9-10-33-74)89-70(108)58-20-13-36-95(58)72(110)53(18-11-34-82-73(79)80)88-63(101)48(75)38-44-23-27-47(96)28-24-44/h6-8,14-15,21-28,42,48-58,96H,4-5,9-13,16-20,29-41,74-75H2,1-3H3,(H2,76,97)(H2,77,98)(H2,78,100)(H,83,102)(H,84,99)(H,85,105)(H,86,103)(H,87,107)(H,88,101)(H,89,108)(H,90,106)(H,91,104)(H4,79,80,82)/t48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+/m1/s1

InChIKey

NFJSTDGVSUMKHD-BBFDPRBZSA-N

Smiles

CCCC[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)N=[N+]=[N-])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](CCCNC(=N)N)NC(=O)[C@@H](Cc5ccc(cc5)O)N