Chemical ID: 6515557

CC(C)CC(C(=O)O)NC(=O)CCCCC(=O)NC(CC(C)C)C(=O)O
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

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Descriptor Annotations

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