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Details

Stereochemistry ACHIRAL
Molecular Formula C27H36N6O9
Molecular Weight 588.6095
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Carbobenzoxyglycyl-prolyl-glycyl-glycyl-prolyl-alanine

SMILES

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)CNC(=O)OCC3=CC=CC=C3)C(O)=O

InChI

InChIKey=YMMPZCZOLKBHAP-IHPCNDPISA-N
InChI=1S/C27H36N6O9/c1-17(26(39)40)31-25(38)20-10-6-12-33(20)22(35)14-28-21(34)13-29-24(37)19-9-5-11-32(19)23(36)15-30-27(41)42-16-18-7-3-2-4-8-18/h2-4,7-8,17,19-20H,5-6,9-16H2,1H3,(H,28,34)(H,29,37)(H,30,41)(H,31,38)(H,39,40)/t17-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H36N6O9
Molecular Weight 588.6095
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:05:54 GMT 2025
Edited
by admin
on Tue Apr 01 19:05:54 GMT 2025
Record UNII
JH5X5NR3WK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-Alanine, N-[(phenylmethoxy)carbonyl]glycyl-L-prolylglycylglycyl-L-prolyl-
Preferred Name English
N-Carbobenzoxyglycyl-prolyl-glycyl-glycyl-prolyl-alanine
Common Name English
N-[(Phenylmethoxy)carbonyl]glycyl-L-prolylglycylglycyl-L-prolyl-L-alanine
Systematic Name English
Code System Code Type Description
CAS
13075-38-2
Created by admin on Tue Apr 01 19:05:54 GMT 2025 , Edited by admin on Tue Apr 01 19:05:54 GMT 2025
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EPA CompTox
DTXSID60156714
Created by admin on Tue Apr 01 19:05:54 GMT 2025 , Edited by admin on Tue Apr 01 19:05:54 GMT 2025
PRIMARY
FDA UNII
JH5X5NR3WK
Created by admin on Tue Apr 01 19:05:54 GMT 2025 , Edited by admin on Tue Apr 01 19:05:54 GMT 2025
PRIMARY
ECHA (EC/EINECS)
235-973-2
Created by admin on Tue Apr 01 19:05:54 GMT 2025 , Edited by admin on Tue Apr 01 19:05:54 GMT 2025
PRIMARY
PUBCHEM
5486160
Created by admin on Tue Apr 01 19:05:54 GMT 2025 , Edited by admin on Tue Apr 01 19:05:54 GMT 2025
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