Name: Name:2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1,2,3,4-tetrahydroquinolin-1-yl)propanoic acid
Brand: Angene
SKU: AG01EKRL
Rating: 90 (10 reviews)

2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1,2,3,4-tetrahydroquinolin-1-yl)propanoic acid

CAS No.:

2137462-57-6

Catalog Number:

AG01EKRL

Molecular Formula:

C27H26N2O4

Molecular Weight:

442.5063

Catalog Number:

AG01EKRL

Chemical Name:

2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1,2,3,4-tetrahydroquinolin-1-yl)propanoic acid

CAS Number:

2137462-57-6

Molecular Formula:

C27H26N2O4

Molecular Weight:

442.5063

MDL Number:

MFCD31665006

IUPAC Name:

3-(3,4-dihydro-2H-quinolin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

InChI:

InChI=1S/C27H26N2O4/c30-26(31)24(16-29-15-7-9-18-8-1-6-14-25(18)29)28-27(32)33-17-23-21-12-4-2-10-19(21)20-11-3-5-13-22(20)23/h1-6,8,10-14,23-24H,7,9,15-17H2,(H,28,32)(H,30,31)

InChI Key:

UJOIDAZSTFNCQY-UHFFFAOYSA-N

SMILES:

O=C(NC(C(=O)O)CN1CCCc2c1cccc2)OCC1c2ccccc2c2c1cccc2

Complexity:

678

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

442.189g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

442.515g/mol

Monoisotopic Mass:

442.189g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.9