Chemical ID: 6681219

CC(C)(C)OC(=O)NC(CCCNC(=O)OCc1ccccc1)C(=O)O
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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Descriptor Annotations

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