CEP-2563 dihydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H40N6O6.2ClH
Molecular Weight	725.661
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.[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=PBEVPBFDKPJIOM-HQKLUXGTSA-N

InChI=1S/C36H40N6O6.2ClH/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);2*1H/t23-,26+,35-,36-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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 `Fri Dec 15 15:42:46 GMT 2023` Edited by `admin` on `Fri Dec 15 15:42:46 GMT 2023`
Record UNII	VU9805I777
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEP-2563 dihydrochloride

Code

English

N-LYS-B-ALA-(9S-(9A,10B,12A))-(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 DIHYDROCHLORIDE

Common Name

English

.BETA.-ALANINE, N-L-LYSYL-, (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, DIHYDROCHLORIDE, (9S-(9.ALPHA.,10.BETA.,12.ALPHA.))-

Common Name

English

KT-8391

Code

English

Code System Code Type Description

CAS

183488-70-2