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Chemical ID: 7346254

CC(C(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)c2cccc3c2-c4ccccc4C3=O

Chemical ID:

7346254

Name [?]:

2-[2-(9-oxofluoren-4-yl)carbonylamino-3-phenyl-propanoyl]aminopropanoic acid

SMILES [?]:

CC(C(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)c2cccc3c2-c4ccccc4C3=O

InChi [?]:

InChI=1/C26H22N2O5/c1-15(26(32)33)27-25(31)21(14-16-8-3-2-4-9-16)28-24(30)20-13-7-12-19-22(20)17-10-5-6-11-18(17)23(19)29/h2-13,15,21H,14H2,1H3,(H,27,31)(H,28,30)(H,32,33)

InChi Info:

AuxInfo=1/1/N:1,14,13,15,28,29,22,12,16,27,30,23,21,10,2,11,26,31,24,20,9,25,32,18,7,3,6,17,33,19,8,4,5/E:(3,4)(8,9)(32,33)/rA:33cCCCOONCOCCCCCCCCNCOCCCCCCCCCCCCCO/rB:s1;s2;d3;s3;s2;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s26;d27;s28;d29;d26s30;s24s31;d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂N₂O₅
All Atoms:	55
Heavy Atoms:	33
Chiral Atoms:	2

ZAP Information [?]

Total:	11.9036
Area:	655.458
Solvation:	-4.48283
Coulombic:	-81.3479

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	442.463
H-Bond Donors:	3
H-Bond Acceptors:	7
XLogP:	3.95
LogP (Chemaxon):	3.03

Name Annotations

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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