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APC 366

CAT: 0127-BUP22201-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP22201-02Size:50 mg
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CAS Number
158921-85-8
Synonyms
APC366
Purity
=98%
Smiles
OC=1C2=C(C=CC1C(N[C@H](C(=O)N3[C@H](C(N)=O)CCC3)CCCNC(=N)N)=O)C=CC=C2

Chemical Information

1-Hydroxy-2-naphthoyl-Arg-Pro amide
CAS Number158921-85-8
PubChem CID177340
IUPAC Name(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[(1-hydroxynaphthalene-2-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxamide
Molecular FormulaC22H28N6O4
Molecular Weight440.5
XLogP0.8
Topological Polar Surface Area177
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity725
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)NC(=O)C2=C(C3=CC=CC=C3C=C2)O)C(=O)N
InChI
InChI=1S/C22H28N6O4/c23-19(30)17-8-4-12-28(17)21(32)16(7-3-11-26-22(24)25)27-20(31)15-10-9-13-5-1-2-6-14(13)18(15)29/h1-2,5-6,9-10,16-17,29H,3-4,7-8,11-12H2,(H2,23,30)(H,27,31)(H4,24,25,26)/t16-,17-/m0/s1
InChIKey
SKYWIMYOGAWOMB-IRXDYDNUSA-N
Chemical Structure
2D Structure
2D structure of 1-Hydroxy-2-naphthoyl-Arg-Pro amide
CAS: 158921-85-8
CID: 177340
Formula: C22H28N6O4
MW: 440.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.5
XLogP30.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass440.21720340
Monoisotopic Mass440.21720340
Topological Polar Surface Area177 Ų
Heavy Atom Count32
Formal Charge0
Complexity725
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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