Name: Name:Heptanoicacid,3-methoxy-5-methyl-4-[methyl[(phenylmethoxy)carbonyl]amino]-,1,1-dimethylethylester,[3S-(3R*,4R*,5R*)]-(9CI)
Brand: Angene
SKU: AG00IM4Q
Rating: 90 (10 reviews)

Heptanoicacid,3-methoxy-5-methyl-4-[methyl[(phenylmethoxy)carbonyl]amino]-,1,1-dimethylethylester,[3S-(3R*,4R*,5R*)]-(9CI)

CAS No.:

154633-73-5

Catalog Number:

AG00IM4Q

Molecular Formula:

C22H35NO5

Molecular Weight:

393.5170

Catalog Number:

AG00IM4Q

Chemical Name:

Heptanoicacid,3-methoxy-5-methyl-4-[methyl[(phenylmethoxy)carbonyl]amino]-,1,1-dimethylethylester,[3S-(3R*,4R*,5R*)]-(9CI)

CAS Number:

154633-73-5

Molecular Formula:

C22H35NO5

Molecular Weight:

393.5170

MDL Number:

MFCD28387337

IUPAC Name:

tert-butyl (3S,4S,5S)-3-methoxy-5-methyl-4-[methyl(phenylmethoxycarbonyl)amino]heptanoate

InChI:

InChI=1S/C22H35NO5/c1-8-16(2)20(18(26-7)14-19(24)28-22(3,4)5)23(6)21(25)27-15-17-12-10-9-11-13-17/h9-13,16,18,20H,8,14-15H2,1-7H3/t16-,18-,20-/m0/s1

InChI Key:

PCUHBNWYHLQSBO-QRFRQXIXSA-N

SMILES:

CC[C@@H]([C@H](N(C(=O)OCc1ccccc1)C)[C@H](CC(=O)OC(C)(C)C)OC)C

Complexity:

482

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

393.252g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

393.524g/mol

Monoisotopic Mass:

393.252g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1