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Chemical ID: 5220907
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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