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Substance Name: Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3
RN: 110605-28-2
InChIKey: IATQYDDBOUHVBI-DBUIVCQZSA-N

Molecular Formula

  • C53-H81-N19-O21-S

Molecular Weight

  • 1352.4009
 
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Names and Synonyms

Name of Substance

  • Acetylcysteine(asparaginyl-alanyl-asparaginyl-proline)3

Synonyms

  • Ac-Cys-(asn-ala-asn-pro)3
  • Ac-Cys-(nanp)3

Systematic Name

  • L-Proline, N-acetyl-L-cysteinyl-L-asparaginyl-L-alanyl-L-asparaginyl-L-prolyl-L-asparaginyl-L-alanyl-L-asparaginyl-L-prolyl-L-asparaginyl-L-alanyl-L-asparaginyl-

Registry Numbers

CAS Registry Number

  • 110605-28-2

System Generated Number

  • 0110605282

Structure Descriptors

InChI

1S/C53H81N19O21S/c1-21(54)41(80)66-27(16-37(57)76)51(90)72-13-7-10-34(72)53(92)93-52(91)30(19-40(60)79)69-48(87)33-9-6-12-71(33)50(89)29(18-39(59)78)68-43(82)23(3)62-45(84)26(15-36(56)75)65-47(86)32-8-5-11-70(32)49(88)28(17-38(58)77)67-42(81)22(2)61-44(83)25(14-35(55)74)64-46(85)31(20-94)63-24(4)73/h21-23,25-34,94H,5-20,54H2,1-4H3,(H2,55,74)(H2,56,75)(H2,57,76)(H2,58,77)(H2,59,78)(H2,60,79)(H,61,83)(H,62,84)(H,63,73)(H,64,85)(H,65,86)(H,66,80)(H,67,81)(H,68,82)(H,69,87)/t21-,22-,23-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1

InChIKey

IATQYDDBOUHVBI-DBUIVCQZSA-N

Smiles

C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)OC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)C)N