Chemical ID: 6671934

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

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