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201283-56-9 | 1-Azetidinebutanoic acid, α-[[(3S)-3-(acetyloxy)-4-methoxy-1,4-dioxobutyl]amino]-2-[(1,1-dimethylethoxy)carbonyl]-γ-oxo-, 1,1-dimethylethyl ester, (αS,2S)-
CAS No: 201283-56-9 Catalog No: AG002DB0 MDL No:
Product Description
Catalog Number:
AG002DB0
Chemical Name:
1-Azetidinebutanoic acid, α-[[(3S)-3-(acetyloxy)-4-methoxy-1,4-dioxobutyl]amino]-2-[(1,1-dimethylethoxy)carbonyl]-γ-oxo-, 1,1-dimethylethyl ester, (αS,2S)-
CAS Number:
201283-56-9
Molecular Formula:
C23H36N2O10
Molecular Weight:
500.5393
IUPAC Name:
tert-butyl (2S)-1-[(3S)-3-[[(3S)-3-acetyloxy-4-methoxy-4-oxobutanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]azetidine-2-carboxylate
InChI:
InChI=1S/C23H36N2O10/c1-13(26)33-16(21(31)32-8)12-17(27)24-14(19(29)34-22(2,3)4)11-18(28)25-10-9-15(25)20(30)35-23(5,6)7/h14-16H,9-12H2,1-8H3,(H,24,27)/t14-,15-,16-/m0/s1
InChI Key:
LQRHWAIDWDZGBA-JYJNAYRXSA-N
SMILES:
COC(=O)[C@@H](OC(=O)C)CC(=O)N[C@H](C(=O)OC(C)(C)C)CC(=O)N1CC[C@H]1C(=O)OC(C)(C)C
Properties
Complexity:
840
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
500.237g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
500.545g/mol
Monoisotopic Mass:
500.237g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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