Chemical ID: 5038783

CC(C)CC(C(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C
Chemical ID:
5038783
Name [?]:
4-methyl-2-(3-phenyl-2-tert-butoxycarbonylamino-propanoyl)amino-pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C20H30N2O5/c1-13(2)11-16(18(24)25)21-17(23)15(12-14-9-7-6-8-10-14)22-19(26)27-20(3,4)5/h6-10,13,15-16H,11-12H2,1-5H3,(H,21,23)(H,22,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,25,26,27,17,16,18,15,19,4,13,2,14,12,5,10,6,21,24,9,20,11,7,8,22,23/E:(1,2)(3,4,5)(7,8)(9,10)(24,25)/rA:27cCCCCCCOONCOCCCCCCCCNCOOCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s12;s20;d21;s21;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H30N2O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:10.9969
Area:592.354
Solvation:-3.81192
Coulombic:-83.4285
Bond Count [?]
All:27
Single:21
Double:6
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:378.463
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:3.67
LogP (Chemaxon):3.09

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Descriptor Annotations

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