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Substance Name: Npc 16731
RN: 130308-39-3
InChIKey: FNVLUJJICGWTDS-UUNFCWPASA-N

Note

  • Bradykinin antagonist.

Molecular Formula

  • C60-H85-N19-O13-S

Molecular Weight

  • 1312.5175
 
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Names and Synonyms

Name of Substance

  • Npc 16731

Synonyms

  • Arg(hyp(3)-thi(5)-tic(7)-tic(8))-bradykinin
  • Bradykinin, arg(hyp(3)-thi(5)-tic(7)-tic(8))-
  • Npc-16731

Systematic Name

  • L-Arginine, D-arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-D-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-L-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-

Registry Numbers

CAS Registry Number

  • 130308-39-3

System Generated Number

  • 0130308393

Structure Descriptors

InChI

1S/C60H85N19O13S/c61-38(14-5-20-71-56(63)64)50(86)76-40(15-6-21-72-57(65)66)53(89)78-25-7-16-43(78)47(83)60(55(91)92,79(44(82)30-75-52(88)41-27-34(81)29-74-41)54(90)42(31-80)77-51(87)39(62)28-35-11-8-26-93-35)59(19-24-73-58(67)68,48(84)45-36-12-3-1-9-32(36)17-22-69-45)49(85)46-37-13-4-2-10-33(37)18-23-70-46/h1-4,8-13,17,22,26,34,38-43,46,48,55,70,74,80-81,84,91-92H,5-7,14-16,18-21,23-25,27-31,61-62H2,(H,75,88)(H,76,86)(H,77,87)(H4,63,64,71)(H4,65,66,72)(H4,67,68,73)/t34-,38-,39+,40+,41+,42+,43+,46?,48?,59-,60-/m1/s1

InChIKey

FNVLUJJICGWTDS-UUNFCWPASA-N

Smiles

c1ccc2c(c1)ccnc2C([C@](CCNC(=N)N)(C(=O)C3c4ccccc4CCN3)[C@](C(O)O)(C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)N)N(C(=O)CNC(=O)[C@@H]6C[C@H](CN6)O)C(=O)[C@H](CO)NC(=O)[C@H](Cc7cccs7)N)O