Name: Name:1-Pyrrolidinecarboxylic acid, 2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-, 1,1-dimethylethyl ester, (2S)-
Brand: Angene
SKU: AG001VDL
Rating: 90 (10 reviews)

1-Pyrrolidinecarboxylic acid, 2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-, 1,1-dimethylethyl ester, (2S)-

CAS No.:

160800-65-7

Catalog Number:

AG001VDL

Molecular Formula:

C23H36N2O5

Molecular Weight:

420.5423

Catalog Number:

AG001VDL

Chemical Name:

1-Pyrrolidinecarboxylic acid, 2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-, 1,1-dimethylethyl ester, (2S)-

CAS Number:

160800-65-7

Molecular Formula:

C23H36N2O5

Molecular Weight:

420.5423

MDL Number:

MFCD31694246

IUPAC Name:

tert-butyl (2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylate

InChI:

InChI=1S/C23H36N2O5/c1-15(21(27)24-16(2)19(26)17-11-8-7-9-12-17)20(29-6)18-13-10-14-25(18)22(28)30-23(3,4)5/h7-9,11-12,15-16,18-20,26H,10,13-14H2,1-6H3,(H,24,27)/t15-,16-,18+,19-,20-/m1/s1

InChI Key:

XJDVGABQIFOWFC-SCQOQHIRSA-N

SMILES:

CO[C@@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H](C(=O)N[C@@H]([C@H](c1ccccc1)O)C)C

Complexity:

570

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

420.262g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

420.55g/mol

Monoisotopic Mass:

420.262g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7