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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H39N3O4
Molecular Weight 457.6056
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzyl N-[(1S)-1-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]-2-methyl-propyl]carbamate

SMILES

CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N(C2CCCCC2)C(=O)NC3CCCCC3

InChI

InChIKey=NDCSLSQMEBPVPR-QHCPKHFHSA-N
InChI=1S/C26H39N3O4/c1-19(2)23(28-26(32)33-18-20-12-6-3-7-13-20)24(30)29(22-16-10-5-11-17-22)25(31)27-21-14-8-4-9-15-21/h3,6-7,12-13,19,21-23H,4-5,8-11,14-18H2,1-2H3,(H,27,31)(H,28,32)/t23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H39N3O4
Molecular Weight 457.6056
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:55:52 GMT 2023
Edited
by admin
on Sat Dec 16 19:55:52 GMT 2023
Record UNII
6B739UXR5N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzyl N-[(1S)-1-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]-2-methyl-propyl]carbamate
Systematic Name English
Carbamic acid, [1-[[cyclohexyl[(cyclohexylamino)carbonyl]amino]carbonyl]-2-methylpropyl]-, phenylmethyl ester, (S)-
Systematic Name English
Code System Code Type Description
CAS
53111-06-1
Created by admin on Sat Dec 16 19:55:52 GMT 2023 , Edited by admin on Sat Dec 16 19:55:52 GMT 2023
PRIMARY
FDA UNII
6B739UXR5N
Created by admin on Sat Dec 16 19:55:52 GMT 2023 , Edited by admin on Sat Dec 16 19:55:52 GMT 2023
PRIMARY
PUBCHEM
92233666
Created by admin on Sat Dec 16 19:55:52 GMT 2023 , Edited by admin on Sat Dec 16 19:55:52 GMT 2023
PRIMARY