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Chemical ID: 6688176

c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(Cc4ccc(cc4)O)C(=O)O

Chemical ID:

6688176

Name [?]:

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxyphenyl)-propanoic acid

SMILES [?]:

c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(Cc4ccc(cc4)O)C(=O)O

InChi [?]:

InChI=1/C24H21NO5/c26-16-11-9-15(10-12-16)13-22(23(27)28)25-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22,26H,13-14H2,(H,25,29)(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,9,2,10,6,8,3,11,22,26,23,25,20,14,21,24,5,7,4,12,13,19,28,16,18,27,29,30,17,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(17,18)(19,20)(27,28)/rA:30cCCCCCCCCCCCCCCOCONCCCCCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;s24;s19;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁NO₅
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	11.5949
Area:	637.179
Solvation:	-4.3346
Coulombic:	-79.4039

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	403.427
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	4.1
LogP (Chemaxon):	4.61

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