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Chemical ID: 6679926
Chemical ID:
6679926
Name [?]:
6-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxo-hexanoic acid
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(CCC(=O)N)CC(=O)O
InChi [?]:
InChI=1/C21H22N2O5/c22-19(24)10-9-13(11-20(25)26)23-21(27)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18H,9-12H2,(H2,22,24)(H,23,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,6,8,3,11,20,21,25,14,19,5,7,4,12,13,22,26,16,24,18,23,27,28,17,15/E:(1,2)(3,4)(5,6)(7,8)(14,15)(16,17)(25,26)/rA:28cCCCCCCCCCCCCCCOCONCCCCONCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;s21;d22;s22;s19;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7267 |
Area: | 614.446 |
Solvation: | -4.63445 |
Coulombic: | -85.0097 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 382.41 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | 1.9 |
LogP (Chemaxon): | 2.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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