CAS 123910-26-9 | 2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-, 2-(1,1-dimethylethyl) ester, (3R)- | CAS Number 123910-26-9

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123910-26-9 | 2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-, 2-(1,1-dimethylethyl) ester, (3R)-

CAS No: 123910-26-9 Catalog No: AG000L7W MDL No:MFCD00672321

Product Description

Catalog Number:

AG000L7W

Chemical Name:

2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-, 2-(1,1-dimethylethyl) ester, (3R)-

CAS Number:

123910-26-9

Molecular Formula:

C17H19N2O4-

Molecular Weight:

315.3438

MDL Number:

MFCD00672321

IUPAC Name:

(3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid

InChI:

InChI=1S/C17H20N2O4/c1-17(2,3)23-16(22)19-9-13-11(8-14(19)15(20)21)10-6-4-5-7-12(10)18-13/h4-7,14,18H,8-9H2,1-3H3,(H,20,21)/t14-/m1/s1

InChI Key:

FHEPEWKHTOVVAT-CQSZACIVSA-N

SMILES:

[O-]C(=O)[C@H]1Cc2c(CN1C(=O)OC(C)(C)C)[nH]c1c2cccc1

Properties

Complexity:

488

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

316.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

316.357g/mol

Monoisotopic Mass:

316.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Parylene coating hinders Candida albicans adhesion to silicone elastomers and denture bases resin.	Archives of oral biology 20100601
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
New organosilicon maxillofacial prosthetic materials.	Dental materials : official publication of the Academy of Dental Materials 20020501