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LY2794193 100mg

CAT: 0628-A19131-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A19131-100Size:100 mg
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CAS Number
2173037-97-1

Chemical Information

(1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CAS Number2173037-97-1
PubChem CID60096231
IUPAC Name(1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzoyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Molecular FormulaC16H18N2O6
Molecular Weight334.32
XLogP-2.6
Topological Polar Surface Area139
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity567
SMILES
COC1=CC=CC(=C1)C(=O)N[C@H]2C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N
InChI
InChI=1S/C16H18N2O6/c1-24-8-4-2-3-7(5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t9-,10-,11-,12-,16-/m0/s1
InChIKey
UXNRHIJPZNNDDJ-VZAVHYRXSA-N
Chemical Structure
2D Structure
2D structure of (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CAS: 2173037-97-1
CID: 60096231
Formula: C16H18N2O6
MW: 334.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.32
XLogP3-2.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass334.11648630
Monoisotopic Mass334.11648630
Topological Polar Surface Area139 Ų
Heavy Atom Count24
Formal Charge0
Complexity567
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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