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Substance Name: Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide)
RN: 145706-74-7
InChIKey: CSJYAMIRXXNWJD-QCQGSNGOSA-N

Molecular Formula

  • C22-H37-N9-O8-S2

Molecular Weight

  • 619.7213
 
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Names and Synonyms

Name of Substance

  • Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide)

Synonyms

  • c-Apagac
  • Cyclo(1,5)-Ac-pen-arg-gly-asp-cys-NH2

Systematic Name

  • L-Cysteinamide, N-acetyl-3-mercapto-D-valyl-L-arginylglycyl-L-alpha-aspartyl-, cyclic (1-5)-disulfide

Registry Numbers

CAS Registry Number

  • 145706-74-7

System Generated Number

  • 0145706747

Structure Descriptors

InChI

1S/C22H37N9O8S2/c1-10(32)28-16(22(2,3)41)20(39)30-11(5-4-6-26-21(24)25)18(37)27-8-14(33)29-12(7-15(34)35)19(38)31-13(9-40)17(23)36/h9,11-13,16,41H,4-8H2,1-3H3,(H2,23,36)(H,27,37)(H,28,32)(H,29,33)(H,30,39)(H,31,38)(H,34,35)(H4,24,25,26)/t11-,12-,13-,16-/m0/s1

InChIKey

CSJYAMIRXXNWJD-QCQGSNGOSA-N

Smiles

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