U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C57H67N3O18
Molecular Weight 1082.1512
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (N-SUCCINYL-PACLITAXEL)-LYSINE

SMILES

[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C5=CC=CC=C5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](OC(=O)CCC(=O)NCCCC[C@H](N)C(O)=O)[C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChIKey=UBKIHAGBRXUYLD-ZHJCDBEYSA-N
InChI=1S/C57H67N3O18/c1-31-38(75-53(71)46(76-42(65)26-25-41(64)59-27-17-16-24-37(58)51(68)69)44(34-18-10-7-11-19-34)60-50(67)35-20-12-8-13-21-35)29-57(72)49(77-52(70)36-22-14-9-15-23-36)47-55(6,39(63)28-40-56(47,30-73-40)78-33(3)62)48(66)45(74-32(2)61)43(31)54(57,4)5/h7-15,18-23,37-40,44-47,49,63,72H,16-17,24-30,58H2,1-6H3,(H,59,64)(H,60,67)(H,68,69)/t37-,38-,39-,40+,44-,45+,46+,47-,49-,55+,56-,57+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(N-SUCCINYL-PACLITAXEL)-LYSINE
Common Name English
Code System Code Type Description
FDA UNII
HOY02N12D8
Created by admin on Sat Dec 16 15:02:51 GMT 2023 , Edited by admin on Sat Dec 16 15:02:51 GMT 2023
PRIMARY
PUBCHEM
138393931
Created by admin on Sat Dec 16 15:02:51 GMT 2023 , Edited by admin on Sat Dec 16 15:02:51 GMT 2023
PRIMARY