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Substance Name: Dansylbradykinin
RN: 49745-27-9
InChIKey: BSTOHFYSCLJHHC-OHMBBIANSA-N

Molecular Formula

  • C62-H84-N16-O13-S

Molecular Weight

  • 1293.5106
 
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Names and Synonyms

Name of Substance

  • Dansylbradykinin

Systematic Name

  • Bradykinin, N2-((5-(dimethylamino)-1-naphthalenyl)sulfonyl)-

Registry Numbers

CAS Registry Number

  • 49745-27-9

System Generated Number

  • 0049745279

Structure Descriptors

InChI

1S/C62H84N16O13S/c1-75(2)47-24-9-21-41-40(47)20-10-28-51(41)92(90,91)74-42(22-11-29-67-61(63)64)57(85)78-33-15-27-50(78)59(87)77-32-13-25-48(77)55(83)69-36-52(80)70-44(34-38-16-5-3-6-17-38)53(81)73-46(37-79)58(86)76-31-14-26-49(76)56(84)72-45(35-39-18-7-4-8-19-39)54(82)71-43(60(88)89)23-12-30-68-62(65)66/h3-10,16-21,24,28,42-46,48-50,74,79H,11-15,22-23,25-27,29-37H2,1-2H3,(H,69,83)(H,70,80)(H,71,82)(H,72,84)(H,73,81)(H,88,89)(H4,63,64,67)(H4,65,66,68)/t42-,43-,44-,45-,46-,48-,49-,50-/m0/s1

InChIKey

BSTOHFYSCLJHHC-OHMBBIANSA-N

Smiles

CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)NCC(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](CO)C(=O)N6CCC[C@H]6C(=O)N[C@@H](Cc7ccccc7)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O