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Substance Name: Ergoninine
RN: 29474-99-5
InChIKey: XWTYUTWHTOOWSS-FPNLSDLLSA-N

Molecular Weight

  • 547.652
 
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Names and Synonyms

Synonym

  • Ergoninin

Systematic Name

  • Ergoninine

Registry Numbers

CAS Registry Number

  • 29474-99-5

System Generated Number

  • 0029474995

Structure Descriptors

InChI

1S/C30H37N5O5/c1-5-29(28(38)35-25(16(2)3)27(37)34-11-7-10-23(34)30(35,39)40-29)32-26(36)18-12-20-19-8-6-9-21-24(19)17(14-31-21)13-22(20)33(4)15-18/h6,8-9,12,14,16,18,22-23,25,31,39H,5,7,10-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23+,25-,29-,30+/m1/s1

InChIKey

XWTYUTWHTOOWSS-FPNLSDLLSA-N

Smiles

C1=C2c3cccc4[nH]cc(c34)C[C@@H]2[N@@](C)C[C@@H]1C(N[C@]1(C(N2[C@@H](C(N3CCC[C@@H]3[C@@]2(O1)O)=O)C(C)C)=O)CC)=O