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Chemical ID: 5788966
Chemical ID:
5788966
Name [?]:
2-[2-[2-amino-3-(1H-indol-3-yl)propanoyl]aminoacetyl]aminoacetic acid
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CC(C(=O)NCC(=O)NCC(=O)O)N
InChi [?]:
InChI=1/C15H18N4O4/c16-11(15(23)19-7-13(20)18-8-14(21)22)5-9-6-17-12-4-2-1-3-10(9)12/h1-4,6,11,17H,5,7-8,16H2,(H,18,20)(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,8,15,19,7,5,11,4,16,20,12,23,9,18,14,17,21,22,13/E:(21,22)/rA:23cCCCCCCCCNCCCONCCONCCOON/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;d12;s12;s14;s15;d16;s16;s18;s19;d20;s20;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N4O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.30223 |
Area: | 547.462 |
Solvation: | -4.38432 |
Coulombic: | -91.1503 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 318.328 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 7 |
XLogP: | -0.8 |
LogP (Chemaxon): | -4.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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