Chemical ID: 6679926

c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(CCC(=O)N)CC(=O)O
Chemical ID:
6679926
Name [?]:
6-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxo-hexanoic acid
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(CCC(=O)N)CC(=O)O
InChi [?]:
InChI=1/C21H22N2O5/c22-19(24)10-9-13(11-20(25)26)23-21(27)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18H,9-12H2,(H2,22,24)(H,23,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,6,8,3,11,20,21,25,14,19,5,7,4,12,13,22,26,16,24,18,23,27,28,17,15/E:(1,2)(3,4)(5,6)(7,8)(14,15)(16,17)(25,26)/rA:28cCCCCCCCCCCCCCCOCONCCCCONCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;s21;d22;s22;s19;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.7267
Area:614.446
Solvation:-4.63445
Coulombic:-85.0097
Bond Count [?]
All:30
Single:21
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:382.41
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:1.9
LogP (Chemaxon):2.03

Name Annotations

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

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

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

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

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

Chemical MixSourceExternal IDDescriptorValue