Name: Name:1-Piperidinecarboxylic acid, 4-[2-[[(1,1-diMethylethoxy)carbonyl](phenylMethyl)aMino]-2-oxo-1-(2-phenyl-1H-benziMidazol-1-yl)ethyl]-, 1,1-diMethylethyl ester
Brand: Angene
SKU: AG00ABH0
Rating: 90 (10 reviews)

1-Piperidinecarboxylic acid, 4-[2-[[(1,1-diMethylethoxy)carbonyl](phenylMethyl)aMino]-2-oxo-1-(2-phenyl-1H-benziMidazol-1-yl)ethyl]-, 1,1-diMethylethyl ester

CAS No.:

1440753-63-8

Catalog Number:

AG00ABH0

Molecular Formula:

C37H44N4O5

Molecular Weight:

624.7691

Catalog Number:

AG00ABH0

Chemical Name:

1-Piperidinecarboxylic acid, 4-[2-[[(1,1-diMethylethoxy)carbonyl](phenylMethyl)aMino]-2-oxo-1-(2-phenyl-1H-benziMidazol-1-yl)ethyl]-, 1,1-diMethylethyl ester

CAS Number:

1440753-63-8

Molecular Formula:

C37H44N4O5

Molecular Weight:

624.7691

MDL Number:

MFCD28347640

IUPAC Name:

tert-butyl 4-[2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-(2-phenylbenzimidazol-1-yl)ethyl]piperidine-1-carboxylate

InChI:

InChI=1S/C37H44N4O5/c1-36(2,3)45-34(43)39-23-21-27(22-24-39)31(33(42)40(35(44)46-37(4,5)6)25-26-15-9-7-10-16-26)41-30-20-14-13-19-29(30)38-32(41)28-17-11-8-12-18-28/h7-20,27,31H,21-25H2,1-6H3

InChI Key:

LKHZAVZTSCFUTQ-UHFFFAOYSA-N

SMILES:

O=C(N(C(=O)C(n1c(nc2c1cccc2)c1ccccc1)C1CCN(CC1)C(=O)OC(C)(C)C)Cc1ccccc1)OC(C)(C)C

Complexity:

1030

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

624.331g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

624.782g/mol

Monoisotopic Mass:

624.331g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.1