NB-1043-10

Details

Stereochemistry	EPIMERIC
Molecular Formula	C55H75N3O14S.2Cl
Molecular Weight	1105.167
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].[Cl-].COC1=CC2=C(C=C1OC)[C@H](CC3=CC(OC)=C(OC)C=C3)[N@@+](C)(CCCOC(=O)CC(SC[C@H](N)C(O)=O)C(=O)OCCC[N@@+]4(C)CCC5=C(C=C(OC)C(OC)=C5)[C@@H]4CC6=CC(OC)=C(OC)C=C6)CC2

InChI

InChIKey=ZJRDPUWXOUXJGZ-ANOLHTDFSA-M

InChI=1S/C55H74N3O14S.2ClH/c1-57(21-17-37-29-48(67-7)50(69-9)31-39(37)42(57)25-35-13-15-44(63-3)46(27-35)65-5)19-11-23-71-53(59)33-52(73-34-41(56)54(60)61)55(62)72-24-12-20-58(2)22-18-38-30-49(68-8)51(70-10)32-40(38)43(58)26-36-14-16-45(64-4)47(28-36)66-6;;/h13-16,27-32,41-43,52H,11-12,17-26,33-34,56H2,1-10H3;2*1H/q+1;;/p-1/t41-,42-,43-,52?,57-,58-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C55H74N3O14S
Molecular Weight	1033.253
Charge	1
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	3 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:18:09 GMT 2023` Edited by `admin` on `Sat Dec 16 14:18:09 GMT 2023`
Record UNII	5QD5QH2NY7
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NB-1043-10

Code

English

NB 1043-10

Code

English

L-CYSTEINE ADDUCT OF CW-002

Common Name

English

L-CYSTEINE ADDUCT OF CW 002

Common Name

English

Code System Code Type Description

FDA UNII

5QD5QH2NY7

Created by admin on Sat Dec 16 14:18:09 GMT 2023 , Edited by admin on Sat Dec 16 14:18:09 GMT 2023

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PUBCHEM

165411952

Created by admin on Sat Dec 16 14:18:09 GMT 2023 , Edited by admin on Sat Dec 16 14:18:09 GMT 2023

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