Chemical ID: 3966530

CC(C)CC(C(=O)O)NC(=O)C(C(Cc1ccccc1)N)O
Chemical ID:
3966530
Name [?]:
2-(3-amino-2-hydroxy-4-phenyl-butanoyl)amino-4-methyl-pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(=O)C(C(Cc1ccccc1)N)O
InChi [?]:
InChI=1/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,19,16,20,4,14,2,15,13,5,12,10,6,21,9,22,11,7,8/E:(1,2)(4,5)(6,7)(21,22)/rA:22cCCCCCCOONCOCCCCCCCCCNO/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24N2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:3
ZAP Information [?]
Total:9.18338
Area:525.759
Solvation:-3.96059
Coulombic:-79.8897
Bond Count [?]
All:22
Single:17
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:308.373
H-Bond Donors:5
H-Bond Acceptors:6
XLogP:1.25
LogP (Chemaxon):-1.49

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