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Chemical ID: 6515971
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
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Experimental Annotations
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Descriptor Annotations
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