PRETUBULYSIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H55N5O5S
Molecular Weight	669.917
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
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(C)[C@H](CCC2=NC(=CS2)C(=O)N[C@H](C[C@H](C)C(O)=O)CC3=CC=CC=C3)C(C)C

InChI

InChIKey=IUQKJKPHUBJDJV-UMNBWOBWSA-N

InChI=1S/C36H55N5O5S/c1-8-24(4)32(39-34(43)30-16-12-13-19-40(30)6)35(44)41(7)29(23(2)3)17-18-31-38-28(22-47-31)33(42)37-27(20-25(5)36(45)46)21-26-14-10-9-11-15-26/h9-11,14-15,22-25,27,29-30,32H,8,12-13,16-21H2,1-7H3,(H,37,42)(H,39,43)(H,45,46)/t24-,25-,27+,29+,30+,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H55N5O5S
Molecular Weight	669.917
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:34:51 GMT 2025` Edited by `admin` on `Mon Mar 31 22:34:51 GMT 2025`
Record UNII	Q67GVO8JTM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PRETUBULYSIN

Common Name

English

PRETUBULYSIN D

Preferred Name

English

PRETUBULYSIN-827

Common Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

Q67GVO8JTM

Created by admin on Mon Mar 31 22:34:51 GMT 2025 , Edited by admin on Mon Mar 31 22:34:51 GMT 2025

PRIMARY

PUBCHEM

44195319

Created by admin on Mon Mar 31 22:34:51 GMT 2025 , Edited by admin on Mon Mar 31 22:34:51 GMT 2025

PRIMARY

CAS

1174764-12-5

Created by admin on Mon Mar 31 22:34:51 GMT 2025 , Edited by admin on Mon Mar 31 22:34:51 GMT 2025

PRIMARY

Related Record Type Details


					Q67GVO8JTM

PRETUBULYSIN

ACTIVE MOIETY