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Substance Name: A 68828
RN: 132309-52-5
InChIKey: HCJNLCHEKMAIHX-PVCRQNKGSA-N

Note

  • Atrial natriuretic factor analog.

Molecular Formula

  • C68-H116-N26-O15-S2

Molecular Weight

  • 1601.9634
 
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Names and Synonyms

Name of Substance

  • A 68828

Synonyms

  • A-68828
  • A68828

Systematic Name

  • L-Cysteinamide, L-arginyl-L-cysteinyl-3-cyclohexyl-L-alanylglycylglycyl-L-arginyl-L-isoleucyl-L-alpha-aspartyl-L-arginyl-L-isoleucyl-L-phenylalanyl-L-arginyl-, cyclic(2-13)-disulfide

Registry Numbers

CAS Registry Number

  • 132309-52-5

System Generated Number

  • 0132309525

Structure Descriptors

InChI

1S/C68H116N26O15S2/c1-5-36(3)52(63(108)88-45(30-39-19-11-8-12-20-39)59(104)86-43(23-15-27-81-67(75)76)56(101)91-48(35-111)62(107)94-61(106)47(34-110)90-55(100)40(69)21-13-25-79-65(71)72)93-58(103)44(24-16-28-82-68(77)78)87-60(105)46(31-51(97)98)89-64(109)53(37(4)6-2)92-57(102)42(22-14-26-80-66(73)74)85-50(96)33-83-49(95)32-84-54(99)41(70)29-38-17-9-7-10-18-38/h8,11-12,19-20,32,36-38,40-48,52-53,110-111H,5-7,9-10,13-18,21-31,33-35,69-70H2,1-4H3,(H,83,95)(H,85,96)(H,86,104)(H,87,105)(H,88,108)(H,89,109)(H,90,100)(H,91,101)(H,92,102)(H,93,103)(H,97,98)(H4,71,72,79)(H4,73,74,80)(H4,75,76,81)(H4,77,78,82)(H,94,106,107)/b84-32-/t36-,37-,40-,41-,42-,43-,44-,45-,46-,47-,48-,52-,53-/m0/s1

InChIKey

HCJNLCHEKMAIHX-PVCRQNKGSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)/C=N\C(=O)[C@H](CC2CCCCC2)N