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Chemical ID: 5092838
Chemical ID:
5092838
Name [?]:
benzhydryl 2-benzyloxycarbonylamino-3-hydroxy-butanoate
SMILES [?]:
CC(C(C(=O)OC(c1ccccc1)c2ccccc2)NC(=O)OCc3ccccc3)O
InChi [?]:
InChI=1/C25H25NO5/c1-18(27)22(26-25(29)30-17-19-11-5-2-6-12-19)24(28)31-23(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22-23,27H,17H2,1H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,28,11,17,27,29,10,12,16,18,26,30,9,13,15,19,24,2,25,8,14,3,7,4,21,20,31,5,22,23,6/E:(3,4)(5,6)(7,8,9,10)(11,12)(13,14,15,16)(20,21)/rA:31cCCCCOOCCCCCCCCCCCCCNCOOCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s16;d17;d14s18;s3;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25NO5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 13.0096 |
Area: | 669.704 |
Solvation: | -3.73298 |
Coulombic: | -75.9654 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 419.47 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.43 |
LogP (Chemaxon): | 4.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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