U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H23N3O4S
Molecular Weight 317.404
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-BIOTINYL SERINOL

SMILES

OCC(CO)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12

InChI

InChIKey=QJXAKBVQCZCSRT-NHCYSSNCSA-N
InChI=1S/C13H23N3O4S/c17-5-8(6-18)14-11(19)4-2-1-3-10-12-9(7-21-10)15-13(20)16-12/h8-10,12,17-18H,1-7H2,(H,14,19)(H2,15,16,20)/t9-,10-,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H23N3O4S
Molecular Weight 317.404
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
7SX7185BD5
Record Status Validated (UNII)
Record Version