TUBULYSIN E

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H63N5O9S
Molecular Weight	814.043
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@](NC(=O)[C@H]1CCCCN1C)([C@@H](C)CC)C(=O)N(COC(=O)CCC)[C@H](C[C@@H](OC(C)=O)C2=NC(=CS2)C(=O)N[C@H](C[C@H](C)C(O)=O)CC3=CC=CC=C3)C(C)C

InChI

InChIKey=SEIXESXDPXDGRK-CAPJTEJHSA-N

InChI=1S/C42H63N5O9S/c1-9-16-36(49)55-25-47(41(52)37(27(5)10-2)45-39(51)33-19-14-15-20-46(33)8)34(26(3)4)23-35(56-29(7)48)40-44-32(24-57-40)38(50)43-31(21-28(6)42(53)54)22-30-17-12-11-13-18-30/h11-13,17-18,24,26-28,31,33-35,37H,9-10,14-16,19-23,25H2,1-8H3,(H,43,50)(H,45,51)(H,53,54)/t27-,28-,31+,33+,34+,35+,37-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H63N5O9S
Molecular Weight	814.043
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:25:28 GMT 2023` Edited by `admin` on `Sat Dec 16 14:25:28 GMT 2023`
Record UNII	SXT0V84S0H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TUBULYSIN E

Common Name

English

BENZENEPENTANOIC ACID, .GAMMA.-(((2-((1R,3R)-1-(ACETYLOXY)-4-METHYL-3-(((2S,3S)-3-METHYL-2-((((2R)-1-METHYL-2-PIPERIDINYL)CARBONYL)AMINO)-1-OXOPENTYL)((1-OXOBUTOXY)METHYL)AMINO)PENTYL)-4-THIAZOLYL)CARBONYL)AMINO)-.ALPHA.-METHYL-, (.ALPHA.S,.GAMMA.R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

12134547

Created by admin on Sat Dec 16 14:25:28 GMT 2023 , Edited by admin on Sat Dec 16 14:25:28 GMT 2023

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CAS

309935-58-8

Created by admin on Sat Dec 16 14:25:28 GMT 2023 , Edited by admin on Sat Dec 16 14:25:28 GMT 2023

PRIMARY

FDA UNII

SXT0V84S0H

Created by admin on Sat Dec 16 14:25:28 GMT 2023 , Edited by admin on Sat Dec 16 14:25:28 GMT 2023

PRIMARY