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Chemical ID: 7346137
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
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Experimental Annotations
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Descriptor Annotations
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