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Chemical ID: 6515557
Chemical ID:
6515557
Name [?]:
2-[5-[(1-carboxy-3-methyl-butyl)carbamoyl]pentanoylamino]-4-methyl-pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(=O)CCCCC(=O)NC(CC(C)C)C(=O)O
InChi [?]:
InChI=1/C18H32N2O6/c1-11(2)9-13(17(23)24)19-15(21)7-5-6-8-16(22)20-14(18(25)26)10-12(3)4/h11-14H,5-10H2,1-4H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,3,22,23,13,14,12,15,4,20,2,21,5,19,10,16,6,24,9,18,11,17,7,8,25,26/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24,25,26)/gE:(1,2)(3,4)/rA:26cCCCCCCOONCOCCCCCONCCCCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;s13;s14;s15;d16;s16;s18;s19;s20;s21;s21;s19;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H32N2O6 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.2335 |
Area: | 654.135 |
Solvation: | -5.11984 |
Coulombic: | -94.7758 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 372.457 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | 2.27 |
LogP (Chemaxon): | 1.73 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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