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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H46BN3O7
Molecular Weight 607.545
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYL N-((2R)-1-((2S)-2-(((1R)-4-METHOXY-1-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BUTYL)CARBAMOYL)PYRROLIDIN-1-YL)-1-OXO-3-PHENYLPROPAN-2-YL)CARBAMATE

SMILES

COCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)B4OC(C)(C)C(C)(C)O4

InChI

InChIKey=RTQCSXSGYPCGES-PKTNWEFCSA-N
InChI=1S/C33H46BN3O7/c1-32(2)33(3,4)44-34(43-32)28(19-13-21-41-5)36-29(38)27-18-12-20-37(27)30(39)26(22-24-14-8-6-9-15-24)35-31(40)42-23-25-16-10-7-11-17-25/h6-11,14-17,26-28H,12-13,18-23H2,1-5H3,(H,35,40)(H,36,38)/t26-,27+,28+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BENZYL N-((2R)-1-((2S)-2-(((1R)-4-METHOXY-1-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BUTYL)CARBAMOYL)PYRROLIDIN-1-YL)-1-OXO-3-PHENYLPROPAN-2-YL)CARBAMATE
Systematic Name English
TRI50
Code English
L-PROLINAMIDE, N-((PHENYLMETHOXY)CARBONYL)-D-PHENYLALANYL-N-((1R)-4-METHOXY-1-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BUTYL)-
Systematic Name English
TRI50B
Code English
BENZYL N-((1R)-1-BENZYL-2-((2S)-2-(((1R)-4-METHOXY-1-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BUTYL)CARBAMOYL)PYRROLIDIN-1-YL)-2-OXO-ETHYL)CARBAMATE
Systematic Name English
TRI-50B
Code English
Code System Code Type Description
CAS
162854-81-1
Created by admin on Sat Dec 16 11:03:29 GMT 2023 , Edited by admin on Sat Dec 16 11:03:29 GMT 2023
PRIMARY
PUBCHEM
11599726
Created by admin on Sat Dec 16 11:03:29 GMT 2023 , Edited by admin on Sat Dec 16 11:03:29 GMT 2023
PRIMARY
FDA UNII
DUP7T3BT69
Created by admin on Sat Dec 16 11:03:29 GMT 2023 , Edited by admin on Sat Dec 16 11:03:29 GMT 2023
PRIMARY