(N-SUCCINYL-PACLITAXEL)-THREONINE

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

Structure Search

SMILES

C[C@H](O)[C@H](NC(=O)CCC(=O)O[C@H]([C@@H](NC(=O)C1=CC=CC=C1)C2=CC=CC=C2)C(=O)O[C@H]3C[C@@]4(O)[C@@H](OC(=O)C5=CC=CC=C5)[C@@H]6[C@@]7(CO[C@@H]7C[C@H](O)[C@@]6(C)C(=O)[C@H](OC(C)=O)C(=C3C)C4(C)C)OC(C)=O)C(O)=O

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

Molecular Formula	C55H62N2O19
Molecular Weight	1055.0828
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 `Wed Apr 02 01:20:03 GMT 2025` Edited by `admin` on `Wed Apr 02 01:20:03 GMT 2025`
Record UNII	G331NQ4LC1
Record Status	`Validated (UNII)`
Record Version

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Type

Language

(N-SUCCINYL-PACLITAXEL)-THREONINE

Preferred Name

English

Code System Code Type Description

PUBCHEM

138394018

Created by admin on Wed Apr 02 01:20:03 GMT 2025 , Edited by admin on Wed Apr 02 01:20:03 GMT 2025

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FDA UNII

G331NQ4LC1

Created by admin on Wed Apr 02 01:20:03 GMT 2025 , Edited by admin on Wed Apr 02 01:20:03 GMT 2025

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