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Chemical ID: 6681219
Chemical ID:
6681219
Name [?]:
5-benzyloxycarbonylamino-2-tert-butoxycarbonylamino-pentanoic acid
SMILES [?]:
CC(C)(C)OC(=O)NC(CCCNC(=O)OCc1ccccc1)C(=O)O
InChi [?]:
InChI=1/C18H26N2O6/c1-18(2,3)26-17(24)20-14(15(21)22)10-7-11-19-16(23)25-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,21,20,22,11,19,23,10,12,17,18,9,24,14,6,2,13,8,25,26,15,7,16,5/E:(1,2,3)(5,6)(8,9)(21,22)/rA:26cCCCCOCONCCCCNCOOCCCCCCCCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s9;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26N2O6 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8327 |
Area: | 635.108 |
Solvation: | -4.045 |
Coulombic: | -95.1611 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 366.409 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 2.76 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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