CEP-2563

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H40N6O6
Molecular Weight	652.7394
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@](COC(=O)CCNC(=O)[C@@H](N)CCCCN)(OC)[C@](C)(O1)N3C4=C(C=CC=C4)C5=C3C6=C(C7=C(C=CC=C7)N26)C8=C5CNC8=O

InChI

InChIKey=GFNQJZFJGAULCC-NXDQBUHDSA-N

InChI=1S/C36H40N6O6/c1-35-36(46-2,19-47-27(43)14-16-39-33(44)23(38)11-7-8-15-37)17-26(48-35)41-24-12-5-3-9-20(24)29-30-22(18-40-34(30)45)28-21-10-4-6-13-25(21)42(35)32(28)31(29)41/h3-6,9-10,12-13,23,26H,7-8,11,14-19,37-38H2,1-2H3,(H,39,44)(H,40,45)/t23-,26+,35-,36-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H40N6O6
Molecular Weight	652.7394
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:38:32 GMT 2023` Edited by `admin` on `Sat Dec 16 13:38:32 GMT 2023`
Record UNII	ASM3TU522N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEP-2563

Code

English

β-Alanine, L-lysyl-, [(9S,10S,12R)-2,3,9,10,11,12-hexahydro-10-methoxy-9-methyl-1-oxo-9,12-epoxy-1H-diindolo[1,2,3-fg:3′,2′,1′-kl]pyrrolo[3,4-i][1,6]benzodiazocin-10-yl]methyl ester

Systematic Name

English

KT-8391 Free Base

Common Name

English

Code System Code Type Description

FDA UNII

ASM3TU522N

Created by admin on Sat Dec 16 13:38:32 GMT 2023 , Edited by admin on Sat Dec 16 13:38:32 GMT 2023

PRIMARY

CAS

706754-99-6

Created by admin on Sat Dec 16 13:38:32 GMT 2023 , Edited by admin on Sat Dec 16 13:38:32 GMT 2023

PRIMARY

PUBCHEM

9831756

Created by admin on Sat Dec 16 13:38:32 GMT 2023 , Edited by admin on Sat Dec 16 13:38:32 GMT 2023

PRIMARY

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