Chemical ID: 6680198

c1ccc(cc1)C(=O)c2ccc(cc2)CC(C(=O)O)NC(=O)OCC3c4ccccc4-c5c3cccc5
Chemical ID:
6680198
Name [?]:
3-(4-benzoylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILES [?]:
c1ccc(cc1)C(=O)c2ccc(cc2)CC(C(=O)O)NC(=O)OCC3c4ccccc4-c5c3cccc5
InChi [?]:
InChI=1/C31H25NO5/c33-29(21-8-2-1-3-9-21)22-16-14-20(15-17-22)18-28(30(34)35)32-31(36)37-19-27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)27/h1-17,27-28H,18-19H2,(H,32,36)(H,34,35)
InChi Info:
AuxInfo=1/1/N:1,2,6,29,36,28,35,3,5,30,37,27,34,11,13,10,14,15,24,12,4,9,31,32,26,33,25,16,7,17,21,20,8,18,19,22,23/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(23,24)(25,26)(34,35)/rA:37cCCCCCCCOCCCCCCCCCOONCOOCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s17;s16;s20;d21;s21;s23;s24;s25;s26;d27;s28;d29;d26s30;s31;s25s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H25NO5
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:14.3498
Area:754.202
Solvation:-4.50524
Coulombic:-74.2823
Bond Count [?]
All:41
Single:26
Double:15
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:491.534
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:6.06
LogP (Chemaxon):6.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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