Chemical ID: 7346137

Cn1c2ccccc2c(=O)n(c1=O)C(Cc3ccccc3)C(=O)NC(CCC(=O)N)C(=O)O
Chemical ID:
7346137
Name [?]:
5-amino-2-[2-(1-methyl-2,4-dioxo-quinazolin-3-yl)-3-phenyl-propanoyl]amino-5-oxo-pentanoic acid
SMILES [?]:
Cn1c2ccccc2c(=O)n(c1=O)C(Cc3ccccc3)C(=O)NC(CCC(=O)N)C(=O)O
InChi [?]:
InChI=1/C23H24N4O6/c1-26-17-10-6-5-9-15(17)21(30)27(23(26)33)18(13-14-7-3-2-4-8-14)20(29)25-16(22(31)32)11-12-19(24)28/h2-10,16,18H,11-13H2,1H3,(H2,24,28)(H,25,29)(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,6,5,17,21,7,4,26,27,15,16,8,25,3,14,28,22,9,31,12,30,24,2,11,29,23,10,32,33,13/E:(3,4)(7,8)(31,32)/rA:33cCNCCCCCCCONCOCCCCCCCCCONCCCCONCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s2s11;d12;s11;s14;s15;s16;d17;s18;d19;d16s20;s14;d22;s22;s24;s25;s26;s27;d28;s28;s25;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N4O6
All Atoms:57
Heavy Atoms:33
Chiral Atoms:2
ZAP Information [?]
Total:10.3621
Area:661.188
Solvation:-6.16756
Coulombic:-107.666
Bond Count [?]
All:35
Single:24
Double:11
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:452.46
H-Bond Donors:4
H-Bond Acceptors:8
XLogP:0.56
LogP (Chemaxon):1.63

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue