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201283-57-0 | 1-Azetidinebutanoic acid, α-[[(3S)-3-(acetyloxy)-4-methoxy-4-oxo-1-thioxobutyl]amino]-2-[(1,1-dimethylethoxy)carbonyl]-γ-thioxo-, 1,1-dimethylethyl ester, (αS,2S)-
CAS No: 201283-57-0 Catalog No: AG002DAZ MDL No:
Product Description
Catalog Number:
AG002DAZ
Chemical Name:
1-Azetidinebutanoic acid, α-[[(3S)-3-(acetyloxy)-4-methoxy-4-oxo-1-thioxobutyl]amino]-2-[(1,1-dimethylethoxy)carbonyl]-γ-thioxo-, 1,1-dimethylethyl ester, (αS,2S)-
CAS Number:
201283-57-0
Molecular Formula:
C23H36N2O8S2
Molecular Weight:
532.6705
IUPAC Name:
tert-butyl (2S)-1-[(3S)-3-[[(3S)-3-acetyloxy-4-methoxy-4-oxobutanethioyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanethioyl]azetidine-2-carboxylate
InChI:
InChI=1S/C23H36N2O8S2/c1-13(26)31-16(21(29)30-8)12-17(34)24-14(19(27)32-22(2,3)4)11-18(35)25-10-9-15(25)20(28)33-23(5,6)7/h14-16H,9-12H2,1-8H3,(H,24,34)/t14-,15-,16-/m0/s1
InChI Key:
PMPVSDNBRRXKNQ-JYJNAYRXSA-N
SMILES:
COC(=O)[C@H](CC(=S)N[C@H](C(=O)OC(C)(C)C)CC(=S)N1CC[C@H]1C(=O)OC(C)(C)C)OC(=O)C
Properties
Complexity:
847
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
532.191g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
532.667g/mol
Monoisotopic Mass:
532.191g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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