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

Details

Stereochemistry ABSOLUTE
Molecular Formula C33H36N2O4
Molecular Weight 524.6499
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[5-[(1S)-1-Hydroxy-2-[[(1R)-2-(4-methoxyphenyl)-1-methylethyl](phenylmethyl)amino]ethyl]-2-(phenylmethoxy)phenyl]formamide

SMILES

COC1=CC=C(C[C@@H](C)N(C[C@@H](O)C2=CC(NC=O)=C(OCC3=CC=CC=C3)C=C2)CC4=CC=CC=C4)C=C1

InChI

InChIKey=RVGUTXYKHMDBPX-NLGDKJDOSA-N
InChI=1S/C33H36N2O4/c1-25(19-26-13-16-30(38-2)17-14-26)35(21-27-9-5-3-6-10-27)22-32(37)29-15-18-33(31(20-29)34-24-36)39-23-28-11-7-4-8-12-28/h3-18,20,24-25,32,37H,19,21-23H2,1-2H3,(H,34,36)/t25-,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H36N2O4
Molecular Weight 524.6499
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 19:31:30 GMT 2023
Edited
by admin
on Sat Dec 16 19:31:30 GMT 2023
Record UNII
N958TMV2CX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[5-[(1S)-1-Hydroxy-2-[[(1R)-2-(4-methoxyphenyl)-1-methylethyl](phenylmethyl)amino]ethyl]-2-(phenylmethoxy)phenyl]formamide
Systematic Name English
Formamide, N-[5-[(1S)-1-hydroxy-2-[[(1R)-2-(4-methoxyphenyl)-1-methylethyl](phenylmethyl)amino]ethyl]-2-(phenylmethoxy)phenyl]-
Systematic Name English
Code System Code Type Description
CAS
2178935-71-0
Created by admin on Sat Dec 16 19:31:30 GMT 2023 , Edited by admin on Sat Dec 16 19:31:30 GMT 2023
PRIMARY
PUBCHEM
29927124
Created by admin on Sat Dec 16 19:31:30 GMT 2023 , Edited by admin on Sat Dec 16 19:31:30 GMT 2023
PRIMARY
FDA UNII
N958TMV2CX
Created by admin on Sat Dec 16 19:31:30 GMT 2023 , Edited by admin on Sat Dec 16 19:31:30 GMT 2023
PRIMARY