Chemical ID: 7352578

c1ccc2c(c1)c(c[nH]2)CCC(=O)NC(Cc3c[nH]c4c3cccc4)C(=O)O
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

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Experimental Annotations

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Descriptor Annotations

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