3-(1H-indol-3-yl)-2-[[3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[3-methyl-2-(1-naphthylsulfonylamino)pentanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[3-methyl-2-(1-naphthalenylsulfonylamino)-1-oxopentyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[3-methyl-2-(1-naphthylsulfonylamino)pentanoyl]amino]propionic acid Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H29N3O5S/c1-3-17(2)25(30-36(34,35)24-14-8-10-18-9-4-5-12-21(18)24)26(31)29-23(27(32)33)15-19-16-28-22-13-7-6-11-20(19)22/h4-14,16-17,23,25,28,30H,3,15H2,1-2H3,(H,29,31)(H,32,33)