Chemical ID: 5220907

CC(C)C(C(=O)O)N(C(=O)Cc1ccccc1)C(=O)CN
Chemical ID:
5220907
Name [?]:
2-[(2-aminoacetyl)-(2-phenylacetyl)-amino]-3-methyl-butanoic acid
SMILES [?]:
CC(C)C(C(=O)O)N(C(=O)Cc1ccccc1)C(=O)CN
InChi [?]:
InChI=1/C15H20N2O4/c1-10(2)14(15(20)21)17(13(19)9-16)12(18)8-11-6-4-3-5-7-11/h3-7,10,14H,8-9,16H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,15,14,16,13,17,11,20,2,12,9,18,4,5,21,8,10,19,6,7/E:(1,2)(4,5)(6,7)(20,21)/rA:21cCCCCCOONCOCCCCCCCCOCN/rB:s1;s2;s2;s4;d5;s5;s4;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s8;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N2O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:7.55897
Area:480.35
Solvation:-4.44978
Coulombic:-63.8882
Bond Count [?]
All:21
Single:15
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:292.33
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:1.29
LogP (Chemaxon):-1.47

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