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Substance Name: BW 443C
RN: 88331-14-0
InChIKey: BXIXBSNBJITKTA-XUGSSHSWSA-N

Molecular Formula

  • C31-H42-N10-O8.2C2-H4-O2

Molecular Weight

  • 802.838
 
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Names and Synonyms

Name of Substance

  • BW 443C

Synonyms

  • BW-443C
  • Tyr-arg-gly-(4-nitro-phe)-pro-NH2

Systematic Name

  • L-Prolinamide, L-tyrosyl-D-arginylglycyl-4-nitro-L-phenylalanyl-, diacetate (salt)

Registry Numbers

CAS Registry Number

  • 88331-14-0

System Generated Number

  • 0088331140

Molecular Formulas

Molecular Formula

  • C31-H42-N10-O8.2C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C31-H42-N10-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C31H42N10O8.2C2H4O2/c32-22(15-19-7-11-21(42)12-8-19)27(44)38-24(3-1-13-36-31(34)35)28(45)37-17-26(43)39-29(46)25-4-2-14-40(25)30(47)23(33)16-18-5-9-20(10-6-18)41(48)49;2*1-2(3)4/h5-12,22-25,42H,1-4,13-17,32-33H2,(H,37,45)(H,38,44)(H4,34,35,36)(H,39,43,46);2*1H3,(H,3,4)/t22-,23-,24+,25-;;/m0../s1

InChIKey

BXIXBSNBJITKTA-XUGSSHSWSA-N

Smiles

C(=O)(NC(CNC([C@H](NC([C@@H](N)Cc1ccc(O)cc1)=O)CCCNC(=N)N)=O)=O)[C@H]1N(CCC1)C([C@@H](N)Cc1ccc(cc1)[N+](=O)[O-])=O.C(C)(=O)O.C(C)(=O)O