Chemical ID: 4559350

CC(C)(C)OC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)N)N
Chemical ID:
4559350
Name [?]:
tert-butyl 2-(2-amino-3-carbamoyl-propanoyl)amino-3-phenyl-propanoate
SMILES [?]:
CC(C)(C)OC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)N)N
InChi [?]:
InChI=1/C17H25N3O4/c1-17(2,3)24-16(23)13(9-11-7-5-4-6-8-11)20-15(22)12(18)10-14(19)21/h4-8,12-13H,9-10,18H2,1-3H3,(H2,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,12,14,11,15,9,20,10,19,8,21,17,6,2,24,23,16,22,18,7,5/E:(1,2,3)(5,6)(7,8)/rA:24cCCCCOCOCCCCCCCCNCOCCCONN/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s17;s19;s20;d21;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25N3O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:9.77628
Area:564.962
Solvation:-4.34777
Coulombic:-77.1991
Bond Count [?]
All:24
Single:18
Double:6
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:335.398
H-Bond Donors:5
H-Bond Acceptors:7
XLogP:0.5
LogP (Chemaxon):-0.01

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