DUOSTATIN 5

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H69N9O6
Molecular Weight	772.0326
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](CN=[N+]=[N-])CC2=CC=C(N)C=C2)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C

InChI

InChIKey=QIHHTRNUHMRKQK-MNFMTBGBSA-N

InChI=1S/C40H69N9O6/c1-13-26(6)36(48(10)40(53)34(24(2)3)45-39(52)35(25(4)5)47(8)9)32(54-11)22-33(50)49-20-14-15-31(49)37(55-12)27(7)38(51)44-30(23-43-46-42)21-28-16-18-29(41)19-17-28/h16-19,24-27,30-32,34-37H,13-15,20-23,41H2,1-12H3,(H,44,51)(H,45,52)/t26-,27+,30-,31-,32+,34-,35-,36-,37+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C40H69N9O6
Molecular Weight	772.0326
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:05:05 GMT 2023` Edited by `admin` on `Sat Dec 16 15:05:05 GMT 2023`
Record UNII	CE421MMY47
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DUOSTATIN 5

Common Name

English

Code System Code Type Description

FDA UNII

CE421MMY47

Created by admin on Sat Dec 16 15:05:05 GMT 2023 , Edited by admin on Sat Dec 16 15:05:05 GMT 2023

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CAS

2124210-34-8

Created by admin on Sat Dec 16 15:05:05 GMT 2023 , Edited by admin on Sat Dec 16 15:05:05 GMT 2023

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PUBCHEM

138320017

Created by admin on Sat Dec 16 15:05:05 GMT 2023 , Edited by admin on Sat Dec 16 15:05:05 GMT 2023

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