.BETA.-AMYLOID PROTEIN-(1-6)-PEPTIDYLGLYCYLGLYCYL-L-CYSTEINE-3-(2,5-DIOXO-2,5-DIHYDRO-1H-PYRROLE-1-YL)-N-(6-((2,5-DIOXOPYRROLIDIN-1-YL)OXY)-6-OXOHEXYL)PROPANAMIDE-ALANINE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C56H81N17O20S
Molecular Weight	1344.409
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-AMYLOID PROTEIN-(1-6)-PEPTIDYLGLYCYLGLYCYL-L-CYSTEINE-3-(2,5-DIOXO-2,5-DIHYDRO-1H-PYRROLE-1-YL)-N-(6-((2,5-DIOXOPYRROLIDIN-1-YL)OXY)-6-OXOHEXYL)PROPANAMIDE-ALANINE

Structure Search

SMILES

C[C@H](NC(=O)CCCCCNC(=O)CCN1C(=O)CC(SC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(O)=O)C(O)=O)C1=O)C(O)=O

InChI

InChIKey=DOYBUTZJQYVVHJ-NACAPGDZSA-N

InChI=1S/C56H81N17O20S/c1-29(67-48(84)33(57)22-46(81)82)47(83)69-35(14-15-45(79)80)51(87)71-36(20-31-10-5-3-6-11-31)52(88)70-34(12-9-18-62-56(58)59)50(86)72-37(21-32-24-60-28-65-32)49(85)64-25-42(76)63-26-43(77)68-38(55(92)93)27-94-39-23-44(78)73(53(39)89)19-16-40(74)61-17-8-4-7-13-41(75)66-30(2)54(90)91/h3,5-6,10-11,24,28-30,33-39H,4,7-9,12-23,25-27,57H2,1-2H3,(H,60,65)(H,61,74)(H,63,76)(H,64,85)(H,66,75)(H,67,84)(H,68,77)(H,69,83)(H,70,88)(H,71,87)(H,72,86)(H,79,80)(H,81,82)(H,90,91)(H,92,93)(H4,58,59,62)/t29-,30-,33-,34-,35-,36-,37-,38-,39?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C56H81N17O20S
Molecular Weight	1344.409
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	4
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:48:05 GMT 2023` Edited by `admin` on `Sat Dec 16 10:48:05 GMT 2023`
Record UNII	2XE7GZ31Y1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-AMYLOID PROTEIN-(1-6)-PEPTIDYLGLYCYLGLYCYL-L-CYSTEINE-3-(2,5-DIOXO-2,5-DIHYDRO-1H-PYRROLE-1-YL)-N-(6-((2,5-DIOXOPYRROLIDIN-1-YL)OXY)-6-OXOHEXYL)PROPANAMIDE-ALANINE

Common Name

English

Code System Code Type Description

DAILYMED

2XE7GZ31Y1

Created by admin on Sat Dec 16 10:48:05 GMT 2023 , Edited by admin on Sat Dec 16 10:48:05 GMT 2023

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PUBCHEM

76964040

Created by admin on Sat Dec 16 10:48:05 GMT 2023 , Edited by admin on Sat Dec 16 10:48:05 GMT 2023

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RXCUI

2471302

Created by admin on Sat Dec 16 10:48:05 GMT 2023 , Edited by admin on Sat Dec 16 10:48:05 GMT 2023

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FDA UNII

2XE7GZ31Y1

Created by admin on Sat Dec 16 10:48:05 GMT 2023 , Edited by admin on Sat Dec 16 10:48:05 GMT 2023

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