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Substance Name: Chymostatin
RN: 9076-44-2
InChIKey: QJIJPLFVFWXMGK-KSPFWWQASA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Natural Products, Microbial
  • Protease Inhibitors
  • Serine Proteinase Inhibitors

Molecular Weight

  • 1809.1
 
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Names and Synonyms

Name of Substance

  • Chymostatin

Synonym

  • Chymostatin

Systematic Name

  • Chymostatin

Registry Numbers

CAS Registry Number

  • 9076-44-2

System Generated Number

  • 0009076442

Structure Descriptors

InChI

1S/2C31H41N7O6.C30H39N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21;1-3-19(2)25(27(40)34-22(18-39)16-20-10-6-4-7-11-20)37-28(41)26(23-14-15-33-30(32)35-23)38-31(44)36-24(29(42)43)17-21-12-8-5-9-13-21;1-18(2)24(26(39)33-21(17-38)15-19-9-5-3-6-10-19)36-27(40)25(22-13-14-32-29(31)34-22)37-30(43)35-23(28(41)42)16-20-11-7-4-8-12-20/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44);4-13,18-19,22-26H,3,14-17H2,1-2H3,(H,34,40)(H,37,41)(H,42,43)(H3,32,33,35)(H2,36,38,44);3-12,17-18,21-25H,13-16H2,1-2H3,(H,33,39)(H,36,40)(H,41,42)(H3,31,32,34)(H2,35,37,43)/t22-,23?,24-,25-,26-;19-,22-,23?,24-,25-,26-;21-,22?,23-,24-,25-/m000/s1

InChIKey

QJIJPLFVFWXMGK-KSPFWWQASA-N

Smiles

N(C(N[C@H](C(O)=O)Cc1ccccc1)=O)[C@H](C(=O)N[C@H](C(N[C@@H](Cc1ccccc1)C=O)=O)C(C)C)[C@H]1NC(=N)NCC1.N(C(N[C@H](C(O)=O)Cc1ccccc1)=O)[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C=O)CC(C)C)[C@H]1NC(=N)NCC1.N(C(N[C@H](C(O)=O)Cc1ccccc1)=O)[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C=O)[C@H](CC)C)[C@H]1NC(=N)NCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 500mg/kg (500mg/kg)   Journal of Antibiotics. Vol. 23, Pg. 425, 1970.
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   Proceedings of the International Symposium of the Princess Takamatsu Cancer Research Fund. Vol. 6, Pg. 57, 1976.