ChemDB: Chemical Search
Download
Chemical ID: 7352578
Chemical ID:
7352578
Name [?]:
3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CCC(=O)NC(Cc3c[nH]c4c3cccc4)C(=O)O
InChi [?]:
InChI=1/C22H21N3O3/c26-21(10-9-14-12-23-18-7-3-1-5-16(14)18)25-20(22(27)28)11-15-13-24-19-8-4-2-6-17(15)19/h1-8,12-13,20,23-24H,9-11H2,(H,25,26)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,23,2,24,6,22,3,25,10,11,16,8,18,7,17,5,21,4,20,15,12,26,9,19,14,13,27,28/E:(27,28)/rA:28cCCCCCCCCNCCCONCCCCNCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;d12;s12;s14;s15;s16;d17;s18;s19;s17s20;d21;s22;d23;d20s24;s15;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21N3O3 |
All Atoms: | 49 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.0514 |
Area: | 609.689 |
Solvation: | -4.19086 |
Coulombic: | -69.5925 |
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: | 2.9 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|