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Chemical ID: 5788367
Chemical ID:
5788367
Name [?]:
4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-butanoic acid
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(CC(=O)N)C(=O)O
InChi [?]:
InChI=1/C19H18N2O5/c20-17(22)9-16(18(23)24)21-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,20,22)(H,21,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,6,8,3,11,20,14,5,7,4,12,13,19,21,24,16,23,18,22,25,26,17,15/E:(1,2)(3,4)(5,6)(7,8)(11,12)(13,14)(23,24)/rA:26cCCCCCCCCCCCCCCOCONCCCONCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;d21;s21;s19;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.62723 |
Area: | 567.472 |
Solvation: | -4.55957 |
Coulombic: | -85.3909 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 354.357 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | 1.45 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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