3-[[2-[[3-butoxy-2-(1H-indol-3-ylmethyl)-3-oxidanylidene-propanoyl]amino]-3-methyl-butanoyl]amino]propanoic acid

Systemtic Name: 3-[[2-[[3-butoxy-2-(1H-indol-3-ylmethyl)-3-oxidanylidene-propanoyl]amino]-3-methyl-butanoyl]amino]propanoic acid Openeye Name: 3-[[2-[[3-butoxy-2-(1H-indol-3-ylmethyl)-3-oxo-propanoyl]amino]-3-methyl-butanoyl]amino]propanoic acid CAS Name: 3-[[2-[[3-butoxy-2-(1H-indol-3-ylmethyl)-1,3-dioxopropyl]amino]-3-methyl-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-[[2-[[3-butoxy-2-(1H-indol-3-ylmethyl)-3-oxopropanoyl]amino]-3-methylbutanoyl]amino]propanoic acid Traditional Name: 3-[[2-[[3-butoxy-2-(1H-indol-3-ylmethyl)-3-keto-propanoyl]amino]-3-methyl-butanoyl]amino]propionic acid Formula: C24H33N3O6 MolecularWeight: 459.53532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC1=CNC2=CC=CC=C21)C(=O)NC(C(C)C)C(=O)NCCC(=O)O

Isomeric SMILES

CCCCOC(=O)C(CC1=CNC2=CC=CC=C21)C(=O)NC(C(C)C)C(=O)NCCC(=O)O

InChI

InChI=1S/C24H33N3O6/c1-4-5-12-33-24(32)18(13-16-14-26-19-9-7-6-8-17(16)19)22(30)27-21(15(2)3)23(31)25-11-10-20(28)29/h6-9,14-15,18,21,26H,4-5,10-13H2,1-3H3,(H,25,31)(H,27,30)(H,28,29)