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119229-00-4 | 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-, 4,4'-methylenebis[3-hydroxy-2-naphthalenecarboxylate] (2:1) (salt) (9CI)
CAS No: 119229-00-4 Catalog No: AG000IEN MDL No:
Product Description
Catalog Number:
AG000IEN
Chemical Name:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-, 4,4'-methylenebis[3-hydroxy-2-naphthalenecarboxylate] (2:1) (salt) (9CI)
CAS Number:
119229-00-4
IUPAC Name:
6-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
InChI:
InChI=1S/C23H16O6.C16H19N3O5S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h1-10,24-25H,11H2,(H,26,27)(H,28,29);3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)
InChI Key:
LRXDVBOJGHRNGR-UHFFFAOYSA-N
Properties
Complexity:
1160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
753.199g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
753.779g/mol
Monoisotopic Mass:
753.199g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
273A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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