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Chemical ID: 7348050
Chemical ID:
7348050
Name [?]:
2-[2-(5-methoxy-1-methyl-indol-2-yl)carbonylamino-3-methyl-butanoyl]amino-2-phenyl-acetic acid
SMILES [?]:
CC(C)C(C(=O)NC(c1ccccc1)C(=O)O)NC(=O)c2cc3cc(ccc3n2C)OC
InChi [?]:
InChI=1/C24H27N3O5/c1-14(2)20(23(29)26-21(24(30)31)15-8-6-5-7-9-15)25-22(28)19-13-16-12-17(32-4)10-11-18(16)27(19)3/h5-14,20-21H,1-4H3,(H,25,28)(H,26,29)(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,3,30,32,12,11,13,10,14,26,27,24,22,2,9,23,25,28,21,4,8,19,5,15,18,7,29,20,6,16,17,31/E:(1,2)(6,7)(8,9)(30,31)/rA:32cCCCCCONCCCCCCCCOONCOCCCCCCCCNCOC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s8;d15;s15;s4;s18;d19;s19;d21;s22;s23;d24;s25;d26;d23s27;s21s28;s29;s25;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27N3O5 |
All Atoms: | 59 |
Heavy Atoms: | 32 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.5516 |
Area: | 676.934 |
Solvation: | -5.37173 |
Coulombic: | -86.134 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 437.488 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 3.12 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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