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(R,R)-Cilastatin

CAT: 0572-TRC-C441120-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C441120-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107872-23-1
Synonyms
(Z)-7-(((R)-2-Amino-2-carboxyethyl)thio)-2-((R)-2,2-dimethylcyclopropanecarboxamido)hept-2-enoic Acid
Hazard Statement
No Data Available
Smiles
CC1(C)C[C@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(=O)O)\C(=O)O
Molecular Formula
C16H26N2O5S
Molecular Weight
358.45
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(Z)-7-(((R)-2-Amino-2-carboxyethyl)thio)-2-((R)-2,2-dimethylcyclopropane-1-carboxamido)hept-2-enoic acid
CAS Number107872-23-1
PubChem CID13608293
IUPAC Name(Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
Molecular FormulaC16H26N2O5S
Molecular Weight358.5
XLogP-1
Topological Polar Surface Area155
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count24
Formal Charge0
Complexity519
SMILES
CC1(C[C@H]1C(=O)N/C(=C\CCCCSC[C@@H](C(=O)O)N)/C(=O)O)C
InChI
InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11-/m0/s1
InChIKey
DHSUYTOATWAVLW-MMURARSESA-N
Chemical Structure
2D Structure
2D structure of (Z)-7-(((R)-2-Amino-2-carboxyethyl)thio)-2-((R)-2,2-dimethylcyclopropane-1-carboxamido)hept-2-enoic acid
CAS: 107872-23-1
CID: 13608293
Formula: C16H26N2O5S
MW: 358.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.5
XLogP3-1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass358.15624311
Monoisotopic Mass358.15624311
Topological Polar Surface Area155 Ų
Heavy Atom Count24
Formal Charge0
Complexity519
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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