Chemical ID: 6515971

CC(C(=O)NC(CO)C(=O)OC)NC(=O)OCc1ccccc1
Chemical ID:
6515971
Name [?]:
methyl 2-(2-benzyloxycarbonylaminopropanoylamino)-3-hydroxy-propanoate
SMILES [?]:
CC(C(=O)NC(CO)C(=O)OC)NC(=O)OCc1ccccc1
InChi [?]:
InChI=1/C15H20N2O6/c1-10(13(19)17-12(8-18)14(20)22-2)16-15(21)23-9-11-6-4-3-5-7-11/h3-7,10,12,18H,8-9H2,1-2H3,(H,16,21)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,12,21,20,22,19,23,7,17,2,18,6,3,9,14,13,5,8,4,10,15,11,16/E:(4,5)(6,7)/rA:23cCCCONCCOCOOCNCOOCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s6;d9;s9;s11;s2;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N2O6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:9.33779
Area:564.108
Solvation:-4.76491
Coulombic:-91.4558
Bond Count [?]
All:23
Single:17
Double:6
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:324.329
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:0.39
LogP (Chemaxon):0.4

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