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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H41N3O10P2
Molecular Weight 665.6082
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AP-22408

SMILES

CC(=O)N[C@@H](CC1=CC=C(C(=C1)P(O)(O)=O)P(O)(O)=O)C(=O)N[C@H]2CCCCC3=CC(OCC4CCCCC4)=C(C=C23)C(N)=O

InChI

InChIKey=SPSGYTWOIGAABK-DQEYMECFSA-N
InChI=1S/C30H41N3O10P2/c1-18(34)32-25(13-20-11-12-27(44(37,38)39)28(14-20)45(40,41)42)30(36)33-24-10-6-5-9-21-15-26(23(29(31)35)16-22(21)24)43-17-19-7-3-2-4-8-19/h11-12,14-16,19,24-25H,2-10,13,17H2,1H3,(H2,31,35)(H,32,34)(H,33,36)(H2,37,38,39)(H2,40,41,42)/t24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H41N3O10P2
Molecular Weight 665.6082
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:25:49 GMT 2023
Edited
by admin
on Sat Dec 16 08:25:49 GMT 2023
Record UNII
3U3L5QR4KV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AP-22408
Common Name English
PHOSPHONIC ACID, P,P'-(4-((2S)-2-(ACETYLAMINO)-3-(((5S)-3-(AMINOCARBONYL)-2-(CYCLOHEXYLMETHOXY)-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5-YL)AMINO)-3-OXOPROPYL)-1,2-PHENYLENE)BIS-
Systematic Name English
PHOSPHONIC ACID, (4-((2S)-2-(ACETYLAMINO)-3-(((5S)-3-(AMINOCARBONYL)-2-(CYCLOHEXYLMETHOXY)-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5-YL)AMINO)-3-OXOPROPYL)-1,2-PHENYLENE)BIS-
Systematic Name English
Code System Code Type Description
CAS
268741-43-1
Created by admin on Sat Dec 16 08:25:49 GMT 2023 , Edited by admin on Sat Dec 16 08:25:49 GMT 2023
PRIMARY
DRUG BANK
DB01830
Created by admin on Sat Dec 16 08:25:49 GMT 2023 , Edited by admin on Sat Dec 16 08:25:49 GMT 2023
PRIMARY
PUBCHEM
445561
Created by admin on Sat Dec 16 08:25:49 GMT 2023 , Edited by admin on Sat Dec 16 08:25:49 GMT 2023
PRIMARY
FDA UNII
3U3L5QR4KV
Created by admin on Sat Dec 16 08:25:49 GMT 2023 , Edited by admin on Sat Dec 16 08:25:49 GMT 2023
PRIMARY
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