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Chemical ID: 6684410
Chemical ID:
6684410
Name [?]:
3-cyclopentyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(CC4CCCC4)C(=O)O
InChi [?]:
InChI=1/C23H25NO4/c25-22(26)21(13-15-7-1-2-8-15)24-23(27)28-14-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,15,20-21H,1-2,7-8,13-14H2,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:23,24,1,9,2,10,22,25,6,8,3,11,20,14,21,5,7,4,12,13,19,26,16,18,27,28,17,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(16,17)(18,19)(25,26)/rA:28cCCCCCCCCCCCCCCOCONCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;s21;s22;s23;s21s24;s19;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25NO4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.3411 |
Area: | 614.117 |
Solvation: | -3.01187 |
Coulombic: | -63.9522 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 379.449 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.3 |
LogP (Chemaxon): | 4.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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