Chemical ID: 7352584

c1ccc(cc1)CC(C(=O)NC(CO)C(=O)O)n2c(=O)c3ccccc3[nH]c2=O
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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