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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H34N6O6S.H2O
Molecular Weight 576.665
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NAPSAGATRAN

SMILES

O.NC(=N)N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)C2=CC=C3C=CC=CC3=C2)C(=O)N(CC(O)=O)C4CC4)C1

InChI

InChIKey=TYAMPCPJIDBUQW-ZLLYMXMVSA-N
InChI=1S/C26H34N6O6S.H2O/c27-26(28)31-11-3-4-17(15-31)14-29-23(33)13-22(25(36)32(16-24(34)35)20-8-9-20)30-39(37,38)21-10-7-18-5-1-2-6-19(18)12-21;/h1-2,5-7,10,12,17,20,22,30H,3-4,8-9,11,13-16H2,(H3,27,28)(H,29,33)(H,34,35);1H2/t17-,22-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NAPSAGATRAN
USAN  
USAN  
Official Name English
NAPSAGATRAN [USAN]
Common Name English
RO 46-6240/010
Code English
RO-46-6240/010
Code English
GLYCINE, N-(N-((1-(AMINOIMINOMETHYL)-3-PIPERIDINYL)METHYL)-N(SUP 2)-(2-NAPHTHALENYLSULFONYL)-L-ASPARAGINYL)-N-CYCLOPROPYL-, MONOHYDRATE, (S)-
Common Name English
RO-46-6240
Code English
N-(N(SUP 4)-(((3S-1-AMIDINO-3-PIPERIDYL)METHYL)-N(SUP 2)-(2-NAPHTHYLSULFONYL)-L-ASPARAGINYL)-N-CYCLOPROPYLGLYCINE MONOHYDRATE
Common Name English
RO-466240010
Code English
Classification Tree Code System Code
NCI_THESAURUS C263
Created by admin on Fri Dec 15 17:05:28 UTC 2023 , Edited by admin on Fri Dec 15 17:05:28 UTC 2023
Code System Code Type Description
CAS
159668-20-9
Created by admin on Fri Dec 15 17:05:28 UTC 2023 , Edited by admin on Fri Dec 15 17:05:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID40936152
Created by admin on Fri Dec 15 17:05:28 UTC 2023 , Edited by admin on Fri Dec 15 17:05:28 UTC 2023
PRIMARY
MESH
C087198
Created by admin on Fri Dec 15 17:05:28 UTC 2023 , Edited by admin on Fri Dec 15 17:05:28 UTC 2023
PRIMARY
SMS_ID
100000080339
Created by admin on Fri Dec 15 17:05:28 UTC 2023 , Edited by admin on Fri Dec 15 17:05:28 UTC 2023
PRIMARY
PUBCHEM
11954363
Created by admin on Fri Dec 15 17:05:28 UTC 2023 , Edited by admin on Fri Dec 15 17:05:28 UTC 2023
PRIMARY
NCI_THESAURUS
C90703
Created by admin on Fri Dec 15 17:05:28 UTC 2023 , Edited by admin on Fri Dec 15 17:05:28 UTC 2023
PRIMARY
USAN
HH-39
Created by admin on Fri Dec 15 17:05:28 UTC 2023 , Edited by admin on Fri Dec 15 17:05:28 UTC 2023
PRIMARY
FDA UNII
VL5IZU8PF8
Created by admin on Fri Dec 15 17:05:28 UTC 2023 , Edited by admin on Fri Dec 15 17:05:28 UTC 2023
PRIMARY
ChEMBL
CHEMBL325166
Created by admin on Fri Dec 15 17:05:28 UTC 2023 , Edited by admin on Fri Dec 15 17:05:28 UTC 2023
PRIMARY