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D-Phe-Val-p-nitroanilide

CAT: 0024-sc-214826Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-214826Size:50 mg
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CAS Number
108321-89-7

Chemical Information

D-Phe-Val-p-nitroanilide
CAS Number108321-89-7
PubChem CID4198037
IUPAC Name2-[(2-amino-3-phenylpropanoyl)amino]-3-methyl-N-(4-nitrophenyl)butanamide
Molecular FormulaC20H24N4O4
Molecular Weight384.4
XLogP1.7
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity535
SMILES
CC(C)C(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CC2=CC=CC=C2)N
InChI
InChI=1S/C20H24N4O4/c1-13(2)18(20(26)22-15-8-10-16(11-9-15)24(27)28)23-19(25)17(21)12-14-6-4-3-5-7-14/h3-11,13,17-18H,12,21H2,1-2H3,(H,22,26)(H,23,25)
InChIKey
MFFZQZIWTDHXEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of D-Phe-Val-p-nitroanilide
CAS: 108321-89-7
CID: 4198037
Formula: C20H24N4O4
MW: 384.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.4
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass384.17975526
Monoisotopic Mass384.17975526
Topological Polar Surface Area130 Ų
Heavy Atom Count28
Formal Charge0
Complexity535
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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