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

Details

Stereochemistry ABSOLUTE
Molecular Formula C55H62N2O19
Molecular Weight 1055.0828
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

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

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)N[C@@H]([C@H](C)O)C(O)=O)[C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChIKey=XILHICFLHKLJNW-UWPPDGGZSA-N
InChI=1S/C55H62N2O19/c1-28-35(73-51(69)44(74-39(63)24-23-38(62)56-41(29(2)58)49(66)67)42(32-17-11-8-12-18-32)57-48(65)33-19-13-9-14-20-33)26-55(70)47(75-50(68)34-21-15-10-16-22-34)45-53(7,36(61)25-37-54(45,27-71-37)76-31(4)60)46(64)43(72-30(3)59)40(28)52(55,5)6/h8-22,29,35-37,41-45,47,58,61,70H,23-27H2,1-7H3,(H,56,62)(H,57,65)(H,66,67)/t29-,35-,36-,37+,41-,42-,43+,44+,45-,47-,53+,54-,55+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(N-SUCCINYL-PACLITAXEL)-THREONINE
Common Name English
Code System Code Type Description
PUBCHEM
138394018
Created by admin on Sat Dec 16 14:48:45 GMT 2023 , Edited by admin on Sat Dec 16 14:48:45 GMT 2023
PRIMARY
FDA UNII
G331NQ4LC1
Created by admin on Sat Dec 16 14:48:45 GMT 2023 , Edited by admin on Sat Dec 16 14:48:45 GMT 2023
PRIMARY