RB-101
Klinički podaci
AHFS/Drugs.com
Monografija
Identifikatori
CAS broj
135949-60-9
ATC kod
nije dodeljen
PubChem [1] [2]
119600
Hemijski podaci
Formula
C 31 H 38 N 2 O 3 S 3
Mol. masa
582,840
SMILES
eMolekuli & PubHem
InChI
InChI=1S/C31H38N2O3S3/c1-37-18-17-28(32)23-39-38-22-27(19-24-11-5-2-6-12-24)30(34)33-29(20-25-13-7-3-8-14-25)31(35)36-21-26-15-9-4-10-16-26/h2-16,27-29H,17-23,32H2,1H3,(H,33,34)/t27?,28-,29-/m0/s1 Key: QXXMSEVVNUSHKJ-KEKPXRHTSA-N Y
Sinonimi
RB-101; phenylmethyl (2S )-2-[(2-([(2S )-2-amino-4-methylsulfanylbutyl]disulfanylmethyl)-3-phenylpropanoyl)amino]-3-phenylpropanoate
Farmakoinformacioni podaci
Trudnoća
?
Pravni status
RB-101 je organsko jedinjenje , koje sadrži 31 atom ugljenika i ima molekulsku masu od 582,840 Da .
↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.” . Drug Discov Today 15 (23-24): 1052-7. DOI :10.1016/j.drudis.2010.10.003 . PMID 20970519 . edit
↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4 : 217-241. DOI :10.1016/S1574-1400(08)00012-1 .
↑ Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods” . J. Phys. Chem. A 102 : 3762-3772. DOI :10.1021/jp980230o .
↑ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices” . Chem Inf. Comput. Sci. 41 : 1488-1493. DOI :10.1021/ci000392t . PMID 11749573 .
↑ Ertl P., Rohde B., Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties” . J. Med. Chem. 43 : 3714-3717. DOI :10.1021/jm000942e . PMID 11020286 .