TUBULYSIN D

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H65N5O9S
Molecular Weight	828.069
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(COC(=O)CC(C)C)[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=SAJNCFZAPSBQTQ-HZZFHOQESA-N

InChI=1S/C43H65N5O9S/c1-10-28(6)38(46-40(52)34-18-14-15-19-47(34)9)42(53)48(25-56-37(50)20-26(2)3)35(27(4)5)23-36(57-30(8)49)41-45-33(24-58-41)39(51)44-32(21-29(7)43(54)55)22-31-16-12-11-13-17-31/h11-13,16-17,24,26-29,32,34-36,38H,10,14-15,18-23,25H2,1-9H3,(H,44,51)(H,46,52)(H,54,55)/t28-,29-,32+,34+,35+,36+,38-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H65N5O9S
Molecular Weight	828.069
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 `Wed Apr 02 01:02:46 GMT 2025` Edited by `admin` on `Wed Apr 02 01:02:46 GMT 2025`
Record UNII	QKA34PE4DB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(+)-TUBULYSIN D

Preferred Name

English

TUBULYSIN D

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)((3-METHYL-1-OXOBUTOXY)METHYL)AMINO)PENTYL)-4-THIAZOLYL)CARBONYL)AMINO)-.ALPHA.-METHYL-, (.ALPHA.S,.GAMM

Systematic Name

English

Code System Code Type Description

FDA UNII

QKA34PE4DB

Created by admin on Wed Apr 02 01:02:46 GMT 2025 , Edited by admin on Wed Apr 02 01:02:46 GMT 2025

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CAS

309935-57-7

Created by admin on Wed Apr 02 01:02:46 GMT 2025 , Edited by admin on Wed Apr 02 01:02:46 GMT 2025

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PUBCHEM

12134546

Created by admin on Wed Apr 02 01:02:46 GMT 2025 , Edited by admin on Wed Apr 02 01:02:46 GMT 2025

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