Cysteinyl zovodotin

Details

Stereochemistry	EPIMERIC
Molecular Formula	C64H108N12O19S2
Molecular Weight	1413.741
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 12
E/Z Centers	0
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)NS(=O)(=O)C2=CC=C(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCN3C(=O)CC(SC[C@H](N)C(O)=O)C3=O)C(C)C)C=C2)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C

InChI

InChIKey=VBPSGPPDLMWZSU-MMWPBNHPSA-N

InChI=1S/C64H108N12O19S2/c1-15-40(8)55(74(12)62(85)53(38(4)5)71-60(83)54(39(6)7)73(10)11)47(91-13)34-50(78)75-26-17-19-46(75)56(92-14)41(9)57(80)72-97(89,90)43-22-20-42(21-23-43)68-58(81)45(18-16-25-67-64(66)88)69-59(82)52(37(2)3)70-49(77)24-28-93-30-32-95-33-31-94-29-27-76-51(79)35-48(61(76)84)96-36-44(65)63(86)87/h20-23,37-41,44-48,52-56H,15-19,24-36,65H2,1-14H3,(H,68,81)(H,69,82)(H,70,77)(H,71,83)(H,72,80)(H,86,87)(H3,66,67,88)/t40-,41+,44-,45-,46-,47+,48?,52-,53-,54-,55-,56+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C64H108N12O19S2
Molecular Weight	1413.741
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	11 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 00:27:27 GMT 2025` Edited by `admin` on `Wed Apr 02 00:27:27 GMT 2025`
Record UNII	JQR5LQL7EM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Cysteinyl zovodotin

Preferred Name

English

Code System Code Type Description

PUBCHEM

171389986

Created by admin on Wed Apr 02 00:27:27 GMT 2025 , Edited by admin on Wed Apr 02 00:27:27 GMT 2025

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FDA UNII

JQR5LQL7EM

Created by admin on Wed Apr 02 00:27:27 GMT 2025 , Edited by admin on Wed Apr 02 00:27:27 GMT 2025

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