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Details

Stereochemistry ABSOLUTE
Molecular Formula C43H50N8O10
Molecular Weight 838.9047
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VERNAMYCIN B.DELTA.

SMILES

CNC1=CC=C(C[C@@H]2N(C)C(=O)[C@@H]3CCCN3C(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)C4=NC=CC=C4O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H]5CC(=O)CCN5C2=O)C6=CC=CC=C6)C=C1

InChI

InChIKey=CKARQVRBPFIZCR-PYNSVXFKSA-N
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

HIDE SMILES / InChI

Molecular Formula C43H50N8O10
Molecular Weight 838.9047
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:32:21 GMT 2023
Edited
by admin
on Sat Dec 16 10:32:21 GMT 2023
Record UNII
21RDC7W1TG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VERNAMYCIN B.DELTA.
MI  
Common Name English
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
Systematic Name English
VERNAMYCIN B.DELTA. [MI]
Common Name English
VIRGINIAMYCIN S1, 2-D-ALANINE-4-(N-METHYL-4-(METHYLAMINO)-L-PHENYLALANINE)-
Systematic Name English
Code System Code Type Description
CAS
29139-17-1
Created by admin on Sat Dec 16 10:32:21 GMT 2023 , Edited by admin on Sat Dec 16 10:32:21 GMT 2023
PRIMARY
PUBCHEM
90479058
Created by admin on Sat Dec 16 10:32:21 GMT 2023 , Edited by admin on Sat Dec 16 10:32:21 GMT 2023
PRIMARY
MERCK INDEX
m524
Created by admin on Sat Dec 16 10:32:21 GMT 2023 , Edited by admin on Sat Dec 16 10:32:21 GMT 2023
PRIMARY Merck Index
FDA UNII
21RDC7W1TG
Created by admin on Sat Dec 16 10:32:21 GMT 2023 , Edited by admin on Sat Dec 16 10:32:21 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY