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Chemical ID: 4341405
Chemical ID:
4341405
Name [?]:
2-(2-benzamidobenzoyl)amino-3-methyl-pentanoic acid
SMILES [?]:
CCC(C)C(C(=O)O)NC(=O)c1ccccc1NC(=O)c2ccccc2
InChi [?]:
InChI=1/C20H22N2O4/c1-3-13(2)17(20(25)26)22-19(24)15-11-7-8-12-16(15)21-18(23)14-9-5-4-6-10-14/h4-13,17H,3H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,4,2,24,23,25,14,15,22,26,13,16,3,21,12,17,5,19,10,6,18,9,20,11,7,8/E:(5,6)(9,10)(25,26)/rA:26cCCCCCCOONCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N2O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.0654 |
Area: | 575.251 |
Solvation: | -3.31587 |
Coulombic: | -73.0776 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 354.4 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 3.96 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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