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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H39N3O5
Molecular Weight 473.605
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1-Dimethylethyl (1S,9S)-9-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate

SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCCN3CCC[C@H](N3C2=O)C(=O)OC(C)(C)C

InChI

InChIKey=CXTCFWSSABFAEA-FKBYEOEOSA-N
InChI=1S/C26H39N3O5/c1-5-33-24(31)21(16-15-19-11-7-6-8-12-19)27-20-13-9-17-28-18-10-14-22(29(28)23(20)30)25(32)34-26(2,3)4/h6-8,11-12,20-22,27H,5,9-10,13-18H2,1-4H3/t20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H39N3O5
Molecular Weight 473.605
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 Sat Dec 16 19:13:15 UTC 2023
Edited
by admin
on Sat Dec 16 19:13:15 UTC 2023
Record UNII
YP44HV73WD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1-Dimethylethyl (1S,9S)-9-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate
Common Name English
6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]octahydro-10-oxo-, 1,1-dimethylethyl ester, [1S-[1α,9α(R*)]]-
Systematic Name English
6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]octahydro-10-oxo-, 1,1-dimethylethyl ester, (1S,9S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID001101180
Created by admin on Sat Dec 16 19:13:16 UTC 2023 , Edited by admin on Sat Dec 16 19:13:16 UTC 2023
PRIMARY
PUBCHEM
11627003
Created by admin on Sat Dec 16 19:13:16 UTC 2023 , Edited by admin on Sat Dec 16 19:13:16 UTC 2023
PRIMARY
FDA UNII
YP44HV73WD
Created by admin on Sat Dec 16 19:13:16 UTC 2023 , Edited by admin on Sat Dec 16 19:13:16 UTC 2023
PRIMARY
CAS
106860-19-9
Created by admin on Sat Dec 16 19:13:16 UTC 2023 , Edited by admin on Sat Dec 16 19:13:16 UTC 2023
PRIMARY
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