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Details

Stereochemistry ABSOLUTE
Molecular Formula C80H105Cl2N12O28P
Molecular Weight 1784.633
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-telavancin-4

SMILES

CCCCCCCCCCNCCN(N=O)[C@@]1(C)C[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC3=C4OC5=CC=C(C=C5Cl)[C@@H](O)[C@@H]6NC(=O)[C@H](NC(=O)[C@@H]7NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)[C@H](O)C8=CC(Cl)=C(OC3=CC7=C4)C=C8)C9=CC(=C(O)C=C9)C%10=C(O)C(CNCP(O)(O)=O)=C(O)C=C%10[C@H](NC6=O)C(O)=O)O[C@@H](C)[C@H]1O

InChI

InChIKey=RJDZHXWDWRPIOU-MXNFEBESSA-N
InChI=1S/C80H105Cl2N12O28P/c1-7-8-9-10-11-12-13-14-21-85-22-23-94(93-113)80(5)32-57(117-37(4)71(80)104)121-70-68(103)67(102)55(34-95)120-79(70)122-69-53-28-41-29-54(69)119-52-20-17-40(27-46(52)82)65(100)63-77(110)90-61(78(111)112)43-30-50(97)44(33-86-35-123(114,115)116)66(101)58(43)42-25-38(15-18-49(42)96)59(74(107)92-63)89-75(108)60(41)88-73(106)48(31-56(83)98)87-76(109)62(91-72(105)47(84-6)24-36(2)3)64(99)39-16-19-51(118-53)45(81)26-39/h15-20,25-30,36-37,47-48,55,57,59-65,67-68,70-71,79,84-86,95-97,99-104H,7-14,21-24,31-35H2,1-6H3,(H2,83,98)(H,87,109)(H,88,106)(H,89,108)(H,90,110)(H,91,105)(H,92,107)(H,111,112)(H2,114,115,116)/t37-,47+,48-,55+,57-,59+,60+,61-,62+,63-,64+,65+,67+,68-,70+,71+,79-,80-/m0/s1

HIDE SMILES / InChI

Molecular Formula C80H105Cl2N12O28P
Molecular Weight 1784.633
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 18 / 18
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:27:19 GMT 2025
Edited
by admin
on Wed Apr 02 18:27:19 GMT 2025
Record UNII
DUQ3GQ6JWR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-nitroso-telavancin-4
Preferred Name English
Code System Code Type Description
FDA UNII
DUQ3GQ6JWR
Created by admin on Wed Apr 02 18:27:19 GMT 2025 , Edited by admin on Wed Apr 02 18:27:19 GMT 2025
PRIMARY
PUBCHEM
171390072
Created by admin on Wed Apr 02 18:27:19 GMT 2025 , Edited by admin on Wed Apr 02 18:27:19 GMT 2025
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