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Chemical ID: 6671934
Chemical ID:
6671934
Name [?]:
2-benzyloxycarbonylamino-5-tert-butoxycarbonylamino-pentanoic acid
SMILES [?]:
CC(C)(C)OC(=O)NCCCC(C(=O)O)NC(=O)OCc1ccccc1
InChi [?]:
InChI=1/C18H26N2O6/c1-18(2,3)26-16(23)19-11-7-10-14(15(21)22)20-17(24)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:1,3,4,24,23,25,10,22,26,11,9,20,21,12,13,6,17,2,8,16,14,15,7,18,19,5/E:(1,2,3)(5,6)(8,9)(21,22)/rA:26cCCCCOCONCCCCCOONCOOCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s12;d13;s13;s12;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26N2O6 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8406 |
Area: | 636.31 |
Solvation: | -4.0672 |
Coulombic: | -95.155 |
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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