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Phe-Pro-Ala-pNA 5mg

CAT: 0628-A23177-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A23177-5Size:5 mg
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CAS Number
201738-99-0

Chemical Information

H-Phe-Pro-Ala-pNA
CAS Number201738-99-0
PubChem CID71358542
IUPAC Name(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular FormulaC23H27N5O5
Molecular Weight453.5
XLogP1.8
Topological Polar Surface Area150
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity713
SMILES
C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=CC=C3)N
InChI
InChI=1S/C23H27N5O5/c1-15(21(29)26-17-9-11-18(12-10-17)28(32)33)25-22(30)20-8-5-13-27(20)23(31)19(24)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,19-20H,5,8,13-14,24H2,1H3,(H,25,30)(H,26,29)/t15-,19-,20-/m0/s1
InChIKey
IQYNDHOCCCUVDQ-YSSFQJQWSA-N
Chemical Structure
2D Structure
2D structure of H-Phe-Pro-Ala-pNA
CAS: 201738-99-0
CID: 71358542
Formula: C23H27N5O5
MW: 453.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass453.20121898
Monoisotopic Mass453.20121898
Topological Polar Surface Area150 Ų
Heavy Atom Count33
Formal Charge0
Complexity713
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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