Chemical ID: 7348050

CC(C)C(C(=O)NC(c1ccccc1)C(=O)O)NC(=O)c2cc3cc(ccc3n2C)OC
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

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Descriptor Annotations

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