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Chemical ID: 7352584
Chemical ID:
7352584
Name [?]:
2-[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenyl-propanoyl]amino-3-hydroxy-propanoic acid
SMILES [?]:
c1ccc(cc1)CC(C(=O)NC(CO)C(=O)O)n2c(=O)c3ccccc3[nH]c2=O
InChi [?]:
InChI=1/C20H19N3O6/c24-11-15(19(27)28)21-17(25)16(10-12-6-2-1-3-7-12)23-18(26)13-8-4-5-9-14(13)22-20(23)29/h1-9,15-16,24H,10-11H2,(H,21,25)(H,22,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,24,3,5,22,25,7,13,4,21,26,12,8,9,19,15,28,11,27,18,14,10,20,16,17,29/E:(2,3)(6,7)(27,28)/rA:29cCCCCCCCCCONCCOCOONCOCCCCCCNCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s12;d15;s15;s8;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;s18s27;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N3O6 |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.34695 |
Area: | 584.136 |
Solvation: | -5.25645 |
Coulombic: | -105.483 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.54 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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