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Substance Name: Vernamycin bdelta
RN: 29139-17-1
UNII: 21RDC7W1TG
InChIKey: CKARQVRBPFIZCR-PYNSVXFKSA-N

Molecular Formula

  • C43-H50-N8-O10

Molecular Weight

  • 838.914
 
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Names and Synonyms

Name of Substance

  • Vernamycin bdelta

Synonyms

  • Glycine, N-((3-hydroxy-2-pyridinyl)carbonyl)-L-threonyl-D-alanyl-L-prolyl-N-methyl-4-(methylamino)-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenyl-, rho-lactone
  • UNII-21RDC7W1TG
  • Vernamycin bdelta
  • Vernamycin bdelta [MI]
  • Virginiamycin S1, 2-D-alanine-4-(N-methyl-4-(methylamino)-L-phenylalanine)-

Registry Numbers

CAS Registry Number

  • 29139-17-1

FDA UNII

  • 21RDC7W1TG

System Generated Number

  • 0029139171

Structure Descriptors

InChI

1S/C43H50N8O10/c1-24-40(57)50-20-9-12-30(50)41(58)49(4)32(22-26-14-16-28(44-3)17-15-26)42(59)51-21-18-29(52)23-31(51)37(54)48-35(27-10-6-5-7-11-27)43(60)61-25(2)34(38(55)46-24)47-39(56)36-33(53)13-8-19-45-36/h5-8,10-11,13-17,19,24-25,30-32,34-35,44,53H,9,12,18,20-23H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)/t24-,25-,30+,31+,32+,34+,35+/m1/s1

InChIKey

CKARQVRBPFIZCR-PYNSVXFKSA-N

Smiles

C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CCC(=O)C[C@H]3C(=O)N[C@H](C(=O)O1)c4ccccc4)Cc5ccc(cc5)NC)C)C)NC(=O)c6c(cccn6)O