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Chemical ID: 3967657
Chemical ID:
3967657
Name [?]:
2-acetamido-N-[1-[(1-formyl-3-methylsulfanyl-propyl)carbamoyl]-3-methyl-butyl]-4-methyl-pentanamide
SMILES [?]:
CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCSC)C=O)NC(=O)C
InChi [?]:
InChI=1/C19H35N3O4S/c1-12(2)9-16(20-14(5)24)19(26)22-17(10-13(3)4)18(25)21-15(11-23)7-8-27-6/h11-13,15-17H,7-10H2,1-6H3,(H,20,24)(H,21,25)(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,3,12,13,27,21,18,19,4,10,22,2,11,25,17,5,9,14,6,24,16,8,23,26,15,7,20/E:(1,2)(3,4)/rA:27cCCCCCCONCCCCCCONCCCSCCONCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s11;s9;d14;s14;s16;s17;s18;s19;s20;s17;d22;s5;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H35N3O4S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.327 |
Area: | 661.177 |
Solvation: | -5.2024 |
Coulombic: | -70.6161 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 401.565 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 3.27 |
LogP (Chemaxon): | 0.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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