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Details

Stereochemistry ABSOLUTE
Molecular Formula C43H52N8O11
Molecular Weight 856.92
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VERNAMYCIN C

SMILES

CC[C@H]1NC(=O)[C@@H](NC(=O)C2=C(O)C=CC=N2)[C@H](C)OC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC3=CC=C(C=C3)N(C)C)N(C)C(=O)[C@@H]4CCCN4C1=O)C5=CC=CC=C5

InChI

InChIKey=PCRZFPGJPKPMQB-LNQSXZRDSA-N
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

HIDE SMILES / InChI

Molecular Formula C43H52N8O11
Molecular Weight 856.92
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 10:32:22 GMT 2023
Edited
by admin
on Sat Dec 16 10:32:22 GMT 2023
Record UNII
LQV1Q96WQY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VERNAMYCIN C
Common Name English
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
Systematic Name English
DORICIN
Common Name English
VIRGINIAMYCIN S1, 4-(4-(DIMETHYLAMINO)-N-METHYL-L-PHENYLALANINE)-5-L-ASPARTIC ACID-
Systematic Name English
Code System Code Type Description
PUBCHEM
90478435
Created by admin on Sat Dec 16 10:32:22 GMT 2023 , Edited by admin on Sat Dec 16 10:32:22 GMT 2023
PRIMARY
CAS
14014-70-1
Created by admin on Sat Dec 16 10:32:22 GMT 2023 , Edited by admin on Sat Dec 16 10:32:22 GMT 2023
PRIMARY
FDA UNII
LQV1Q96WQY
Created by admin on Sat Dec 16 10:32:22 GMT 2023 , Edited by admin on Sat Dec 16 10:32:22 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY