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Details

Stereochemistry ABSOLUTE
Molecular Formula C73H111N17O21
Molecular Weight 1562.7637
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LOTILIBCIN

SMILES

[H][C@@]1(NC(=O)[C@H](CO)NC(=O)C[C@@H](CCCC(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](CCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC4=CC=CC=C4)N(C)C(=O)CNC(=O)[C@H](CO)NC1=O)[C@@H](O)C(N)=O

InChI

InChIKey=LEKBQPKGXGFBAN-MMXTXZKOSA-N
InChI=1S/C73H111N17O21/c1-38(2)17-14-20-43-32-56(94)80-53(37-92)69(106)88-59(61(98)62(77)99)71(108)87-52(36-91)63(100)79-35-57(95)89(7)54(30-41-18-10-9-11-19-41)70(107)86-49(29-39(3)4)66(103)81-46(23-15-27-74)64(101)82-47(25-26-58(96)97)65(102)85-51(33-55(76)93)68(105)84-50(31-42-34-78-45-22-13-12-21-44(42)45)67(104)83-48(24-16-28-75)72(109)90(8)60(40(5)6)73(110)111-43/h9-13,18-19,21-22,34,38-40,43,46-54,59-61,78,91-92,98H,14-17,20,23-33,35-37,74-75H2,1-8H3,(H2,76,93)(H2,77,99)(H,79,100)(H,80,94)(H,81,103)(H,82,101)(H,83,104)(H,84,105)(H,85,102)(H,86,107)(H,87,108)(H,88,106)(H,96,97)/t43-,46-,47+,48-,49+,50-,51-,52+,53+,54-,59-,60+,61-/m1/s1

HIDE SMILES / InChI

Molecular Formula C73H111N17O21
Molecular Weight 1562.7637
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:06:01 UTC 2023
Edited
by admin
on Fri Dec 15 16:06:01 UTC 2023
Record UNII
XT4808181K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LOTILIBCIN
INN   WHO-DD  
INN  
Official Name English
lotilibcin [INN]
Common Name English
WAP-8294A2
Code English
Lotilibcin [WHO-DD]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50583257
Created by admin on Fri Dec 15 16:06:01 UTC 2023 , Edited by admin on Fri Dec 15 16:06:01 UTC 2023
PRIMARY
FDA UNII
XT4808181K
Created by admin on Fri Dec 15 16:06:01 UTC 2023 , Edited by admin on Fri Dec 15 16:06:01 UTC 2023
PRIMARY
INN
9070
Created by admin on Fri Dec 15 16:06:01 UTC 2023 , Edited by admin on Fri Dec 15 16:06:01 UTC 2023
PRIMARY
PUBCHEM
16184172
Created by admin on Fri Dec 15 16:06:01 UTC 2023 , Edited by admin on Fri Dec 15 16:06:01 UTC 2023
PRIMARY
SMS_ID
300000034356
Created by admin on Fri Dec 15 16:06:01 UTC 2023 , Edited by admin on Fri Dec 15 16:06:01 UTC 2023
PRIMARY
CAS
169148-84-9
Created by admin on Fri Dec 15 16:06:01 UTC 2023 , Edited by admin on Fri Dec 15 16:06:01 UTC 2023
PRIMARY
NCI_THESAURUS
C170133
Created by admin on Fri Dec 15 16:06:01 UTC 2023 , Edited by admin on Fri Dec 15 16:06:01 UTC 2023
PRIMARY
MESH
C116834
Created by admin on Fri Dec 15 16:06:01 UTC 2023 , Edited by admin on Fri Dec 15 16:06:01 UTC 2023
PRIMARY
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