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76470-66-1 | 1-Azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-, (6R,7S)-
CAS No: 76470-66-1 Catalog No: AG005BP3 MDL No:
Product Description
Catalog Number:
AG005BP3
Chemical Name:
1-Azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-, (6R,7S)-
CAS Number:
76470-66-1
Molecular Formula:
C16H16ClN3O4
Molecular Weight:
349.7689
IUPAC Name:
(6R,7S)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI:
InChI=1S/C16H16ClN3O4/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24)/t10-,11-,12+/m1/s1
InChI Key:
JAPHQRWPEGVNBT-UTUOFQBUSA-N
SMILES:
N[C@H](c1ccccc1)C(=O)N[C@H]1[C@H]2CCC(=C(N2C1=O)C(=O)O)Cl
UNII:
W72I5ZT78Z
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
349.083g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
349.771g/mol
Monoisotopic Mass:
349.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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