U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H38N4O4
Molecular Weight 518.6471
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL (3S)-1-((2R)-2-(2-AMINO-2-METHYLPROPANAMIDO)-3-(1H-INDOL-3-YL)PROPANOYL)-3-BENZYLPIPERIDINE-3-CARBOXYLATE

SMILES

CCOC(=O)[C@]2(CC1=CC=CC=C1)CCCN(C2)C(=O)[C@@H](CC3=CNC4=C3C=CC=C4)NC(=O)C(C)(C)N

InChI

InChIKey=QNGCLIBDFQODIR-RNAHPLFWSA-N
InChI=1S/C30H38N4O4/c1-4-38-28(37)30(18-21-11-6-5-7-12-21)15-10-16-34(20-30)26(35)25(33-27(36)29(2,3)31)17-22-19-32-24-14-9-8-13-23(22)24/h5-9,11-14,19,25,32H,4,10,15-18,20,31H2,1-3H3,(H,33,36)/t25-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H38N4O4
Molecular Weight 518.6471
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 09:23:18 GMT 2023
Edited
by admin
on Sat Dec 16 09:23:18 GMT 2023
Record UNII
KA8UGJ5WPL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL (3S)-1-((2R)-2-(2-AMINO-2-METHYLPROPANAMIDO)-3-(1H-INDOL-3-YL)PROPANOYL)-3-BENZYLPIPERIDINE-3-CARBOXYLATE
Systematic Name English
(3S)-3-PIPERIDINECARBOXYLIC ACID, 1-(N-(2-METHYLALANYL)-D-TRYPTOPHYL)-3-(PHENYLMETHYL)-, ETHYL ESTER, (S)-
Systematic Name English
3-PIPERIDINECARBOXYLIC ACID, 1-((2R)-2-((2-AMINO-2-METHYL-1-OXOPROPYL)AMINO)-3-(1H-INDOL-3-YL)-1-OXOPROPYL)-3-(PHENYLMETHYL)-, ETHYL ESTER, (3S)-
Systematic Name English
L163540
Code English
(-)-L-163540
Common Name English
3-PIPERIDINECARBOXYLIC ACID, 1-(2-METHYLALANYL-D-TRYPTOPHYL)-3-(PHENYLMETHYL)-, ETHYL ESTER, (3S)-
Systematic Name English
L-163540
Code English
Code System Code Type Description
PUBCHEM
9875705
Created by admin on Sat Dec 16 09:23:18 GMT 2023 , Edited by admin on Sat Dec 16 09:23:18 GMT 2023
PRIMARY
FDA UNII
KA8UGJ5WPL
Created by admin on Sat Dec 16 09:23:18 GMT 2023 , Edited by admin on Sat Dec 16 09:23:18 GMT 2023
PRIMARY
CAS
170842-48-5
Created by admin on Sat Dec 16 09:23:18 GMT 2023 , Edited by admin on Sat Dec 16 09:23:18 GMT 2023
PRIMARY