SOMAPACITAN, CYS 101-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C54H94N12O21S2
Molecular Weight	1311.522
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@](N)(CSCC(=O)NCCCC[C@H](NC(=O)COCCOCCNC(=O)CC[C@]([H])(NC(=O)CC[C@H](NC(=O)COCCOCCNC(=O)CCCS(=O)(=O)NC(=O)CCCCCCCCCCCCCCCC1=NN=NN1)C(O)=O)C(O)=O)C(O)=O)C(O)=O

InChI

InChIKey=PZGGZQIGDPFORN-IWWWZYECSA-N

InChI=1S/C54H94N12O21S2/c55-39(51(74)75)37-88-38-50(73)56-25-15-14-17-40(52(76)77)60-48(71)35-86-32-31-85-29-27-58-45(68)23-21-41(53(78)79)59-46(69)24-22-42(54(80)81)61-49(72)36-87-33-30-84-28-26-57-44(67)20-16-34-89(82,83)64-47(70)19-13-11-9-7-5-3-1-2-4-6-8-10-12-18-43-62-65-66-63-43/h39-42H,1-38,55H2,(H,56,73)(H,57,67)(H,58,68)(H,59,69)(H,60,71)(H,61,72)(H,64,70)(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H,62,63,65,66)/t39-,40-,41-,42-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C54H94N12O21S2
Molecular Weight	1311.522
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:53:43 GMT 2023` Edited by `admin` on `Sat Dec 16 01:53:43 GMT 2023`
Record UNII	2FAU1H70AK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SOMAPACITAN, CYS 101-

Common Name

English

Code System Code Type Description

PUBCHEM

138059650

Created by admin on Sat Dec 16 01:53:43 GMT 2023 , Edited by admin on Sat Dec 16 01:53:43 GMT 2023

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FDA UNII

2FAU1H70AK

Created by admin on Sat Dec 16 01:53:43 GMT 2023 , Edited by admin on Sat Dec 16 01:53:43 GMT 2023

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