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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H44N4O8
Molecular Weight 684.778
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of D-43787

SMILES

COC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)[C@@H]2CC3=C(C=CC=C3)N2C(=O)[C@@H]4CC5=C(C=CC=C5)N4C(=O)OC(C)(C)C

InChI

InChIKey=GKYGBJABPHBINI-MHDHXZMLSA-N
InChI=1S/C38H44N4O8/c1-38(2,3)50-37(47)42-30-20-11-9-17-27(30)23-32(42)34(44)41-29-19-10-8-16-26(29)22-31(41)33(43)40-28(35(45)48-4)18-12-13-21-39-36(46)49-24-25-14-6-5-7-15-25/h5-11,14-17,19-20,28,31-32H,12-13,18,21-24H2,1-4H3,(H,39,46)(H,40,43)/t28-,31-,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H44N4O8
Molecular Weight 684.778
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 09:41:17 GMT 2023
Edited
by admin
on Sat Dec 16 09:41:17 GMT 2023
Record UNII
18SFZ71BQO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
D-43787
Common Name English
1H-INDOLE-1-CARBOXYLIC ACID, 2-(((2S)-2,3-DIHYDRO-2-((((1S)-1-(METHOXYCARBONYL)-5-(((PHENYLMETHOXY)CARBONYL)AMINO)PENTYL)AMINO)CARBONYL)-1H-INDOL-1-YL)CARBONYL)-2,3-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER, (2S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9961556
Created by admin on Sat Dec 16 09:41:17 GMT 2023 , Edited by admin on Sat Dec 16 09:41:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID30173514
Created by admin on Sat Dec 16 09:41:17 GMT 2023 , Edited by admin on Sat Dec 16 09:41:17 GMT 2023
PRIMARY
CAS
198016-44-3
Created by admin on Sat Dec 16 09:41:17 GMT 2023 , Edited by admin on Sat Dec 16 09:41:17 GMT 2023
PRIMARY
FDA UNII
18SFZ71BQO
Created by admin on Sat Dec 16 09:41:17 GMT 2023 , Edited by admin on Sat Dec 16 09:41:17 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY