Boc-His(Trt)-Aib-Glu(Otbu)-Gly-OH

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H56N6O9
Molecular Weight	824.9609
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Boc-His(Trt)-Aib-Glu(Otbu)-Gly-OH

Structure Search

SMILES

CC(C)(C)OC(=O)CC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OC(C)(C)C)C(=O)NCC(O)=O

InChI

InChIKey=OCRJCXTZCKCRBO-PXLJZGITSA-N

InChI=1S/C45H56N6O9/c1-42(2,3)59-37(54)25-24-34(38(55)46-27-36(52)53)48-40(57)44(7,8)50-39(56)35(49-41(58)60-43(4,5)6)26-33-28-51(29-47-33)45(30-18-12-9-13-19-30,31-20-14-10-15-21-31)32-22-16-11-17-23-32/h9-23,28-29,34-35H,24-27H2,1-8H3,(H,46,55)(H,48,57)(H,49,58)(H,50,56)(H,52,53)/t34-,35-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Boc-His(Trt)-Aib-Glu(Otbu)-Gly-OH

Common Name

English

((S)-5-(tert-Butoxy)-2-(2-((S)-2-((tert-butoxycarbonyl)amino)-3-(1-trityl-1H-imidazol-4-yl)propanamido)-2-methylpropanamido)-5-oxopentanoyl)glycine

Preferred Name

English

2-[[(2S)-2-[[2-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]propanoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]acetic acid

Systematic Name

English

Code System Code Type Description

CAS

1890228-73-5

Created by admin on Wed Apr 02 20:33:14 GMT 2025 , Edited by admin on Wed Apr 02 20:33:14 GMT 2025

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FDA UNII

M9WTV9WZ2L

Created by admin on Wed Apr 02 20:33:14 GMT 2025 , Edited by admin on Wed Apr 02 20:33:14 GMT 2025

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PUBCHEM

162422656

Created by admin on Wed Apr 02 20:33:14 GMT 2025 , Edited by admin on Wed Apr 02 20:33:14 GMT 2025

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SUBSTANCE RECORD


					M9WTV9WZ2L

Boc-His(Trt)-Aib-Glu(Otbu)-Gly-OH