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Chemical ID: 7086861

c1ccc(cc1)CC(CCC(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4

Chemical ID:

7086861

Name [?]:

4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenyl-pentanoic acid

SMILES [?]:

c1ccc(cc1)CC(CCC(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4

InChi [?]:

InChI=1/C26H25NO4/c28-25(29)15-14-19(16-18-8-2-1-3-9-18)27-26(30)31-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,19,24H,14-17H2,(H,27,30)(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,2,6,23,30,22,29,3,5,24,31,21,28,9,10,7,18,4,8,25,26,20,27,19,11,15,14,12,13,16,17/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(20,21)(22,23)(28,29)/rA:31cCCCCCCCCCCCOONCOOCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s8;s14;d15;s15;s17;s18;s19;s20;d21;s22;d23;d20s24;s25;s19s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅NO₄
All Atoms:	56
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	12.9027
Area:	648.567
Solvation:	-3.31143
Coulombic:	-63.8889

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	415.481
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.96
LogP (Chemaxon):	5.2

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value