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DPP-IV-IN-2 50mg

CAT: 0628-A13771-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A13771-50Size:50 mg
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CAS Number
136259-18-2

Chemical Information

Dpp-IV-IN-2
CAS Number136259-18-2
PubChem CID9209502
IUPAC Name(4-nitrophenyl)methyl N-[(5S)-5-amino-6-oxo-6-pyrrolidin-1-ylhexyl]carbamate
Molecular FormulaC18H26N4O5
Molecular Weight378.4
XLogP1.4
Topological Polar Surface Area130
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count27
Formal Charge0
Complexity496
SMILES
C1CCN(C1)C(=O)[C@H](CCCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N
InChI
InChI=1S/C18H26N4O5/c19-16(17(23)21-11-3-4-12-21)5-1-2-10-20-18(24)27-13-14-6-8-15(9-7-14)22(25)26/h6-9,16H,1-5,10-13,19H2,(H,20,24)/t16-/m0/s1
InChIKey
YDYSCRZHYWLSPQ-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Dpp-IV-IN-2
CAS: 136259-18-2
CID: 9209502
Formula: C18H26N4O5
MW: 378.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.4
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass378.19031994
Monoisotopic Mass378.19031994
Topological Polar Surface Area130 Ų
Heavy Atom Count27
Formal Charge0
Complexity496
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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