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Substance Name: Neominophagen C
RN: 70242-82-9
InChIKey: WBJOKIMCMNCILB-ZICUSWQYSA-N

Molecular Weight

  • 666.915
 
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Names and Synonyms

Name of Substance

  • Neominophagen C

Synonym

  • neo-Minophagen C

Systematic Name

  • Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3beta,20beta)-, mixt. with L-cysteine and glycine

Registry Numbers

CAS Registry Number

  • 70242-82-9

System Generated Number

  • 0070242829

Structure Descriptors

InChI

1S/C30H46O4.C3H7NO2S.C2H5NO2/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6;4-2(1-7)3(5)6;3-1-2(4)5/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34);2,7H,1,4H2,(H,5,6);1,3H2,(H,4,5)/t19-,21?,22+,23-,26-,27-,28+,29-,30-;2-;/m10./s1

InChIKey

WBJOKIMCMNCILB-ZICUSWQYSA-N

Smiles

C(CN)(=O)O.C([C@@H](N)CS)(=O)O.C1[C@@H](C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)CC[C@@](C)(C(=O)O)C[C@H]5C4=CC([C@H]3[C@@]2(C1)C)=O)O