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Substance Name: Vernamycin C
RN: 14014-70-1
UNII: LQV1Q96WQY
InChIKey: PCRZFPGJPKPMQB-LNQSXZRDSA-N

Molecular Formula

  • C43-H52-N8-O11

Molecular Weight

  • 856.9288
 
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Names and Synonyms

Name of Substance

  • Vernamycin C

Synonyms

  • Doricin
  • N-((3-Hydroxy-2-pyridinyl)carbonyl)-L-threonyl-D-2-aminobutanoyl-L-prolyl-4-(dimethylamino)-N-methyl-L-phenylalanyl-L-alpha-aspartyl-L-2-phenylglycine rho-lactone
  • UNII-LQV1Q96WQY
  • Vernamycin C
  • Virginiamycin S1, 4-(4-(dimethylamino)-N-methyl-L-phenylalanine)-5-L-aspartic acid-

Registry Numbers

CAS Registry Number

  • 14014-70-1

FDA UNII

  • LQV1Q96WQY

System Generated Number

  • 0014014701

Structure Descriptors

InChI

1S/C43H52N8O11/c1-6-28-41(59)51-21-11-14-30(51)42(60)50(5)31(22-25-16-18-27(19-17-25)49(3)4)38(56)46-29(23-33(53)54)37(55)48-35(26-12-8-7-9-13-26)43(61)62-24(2)34(39(57)45-28)47-40(58)36-32(52)15-10-20-44-36/h7-10,12-13,15-20,24,28-31,34-35,52H,6,11,14,21-23H2,1-5H3,(H,45,57)(H,46,56)(H,47,58)(H,48,55)(H,53,54)/t24-,28+,29-,30-,31-,34-,35-/m0/s1

InChIKey

PCRZFPGJPKPMQB-LNQSXZRDSA-N

Smiles

CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@H]([C@@H](C(=O)N1)NC(=O)c3c(cccn3)O)C)c4ccccc4)CC(=O)O)Cc5ccc(cc5)N(C)C)C