TUBULYSIN C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H61N5O10S
Molecular Weight	816.016
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@H](C[C@@H](OC(C)=O)C2=NC(=CS2)C(=O)N[C@H](C[C@H](C)C(O)=O)CC3=CC=C(O)C=C3)C(C)C

InChI

InChIKey=NZCNGJHOIKMMCG-UZRVFEFTSA-N

InChI=1S/C41H61N5O10S/c1-9-25(5)36(44-38(51)32-13-11-12-18-45(32)8)40(52)46(23-55-35(49)10-2)33(24(3)4)21-34(56-27(7)47)39-43-31(22-57-39)37(50)42-29(19-26(6)41(53)54)20-28-14-16-30(48)17-15-28/h14-17,22,24-26,29,32-34,36,48H,9-13,18-21,23H2,1-8H3,(H,42,50)(H,44,51)(H,53,54)/t25-,26-,29+,32+,33+,34+,36-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C41H61N5O10S
Molecular Weight	816.016
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 00:11:36 GMT 2025` Edited by `admin` on `Wed Apr 02 00:11:36 GMT 2025`
Record UNII	072P54KU0L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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-OXOPROPOXY)METHYL)AMINO)PENTYL)-4-THIAZOLYL)CARBONYL)AMINO)-4-HYDROXY-.ALPHA.-METHYL-, (.ALPHA.S,.GA

Preferred Name

English

TUBULYSIN C

Common Name

English

Code System Code Type Description

CAS

205304-88-7

Created by admin on Wed Apr 02 00:11:36 GMT 2025 , Edited by admin on Wed Apr 02 00:11:36 GMT 2025

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PUBCHEM

11262920

Created by admin on Wed Apr 02 00:11:36 GMT 2025 , Edited by admin on Wed Apr 02 00:11:36 GMT 2025

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FDA UNII

072P54KU0L

Created by admin on Wed Apr 02 00:11:36 GMT 2025 , Edited by admin on Wed Apr 02 00:11:36 GMT 2025

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