(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

[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

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 `Sat Dec 16 14:48:45 GMT 2023` Edited by `admin` on `Sat Dec 16 14:48:45 GMT 2023`
Record UNII	G331NQ4LC1
Record Status	`Validated (UNII)`
Record Version

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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

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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

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