3-tert-butyl-3-[[[3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]amino]methyl]morpholine-4-carboxylate

Systemtic Name: 3-tert-butyl-3-[[[3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]amino]methyl]morpholine-4-carboxylate Openeye Name: 3-tert-butyl-3-[[[3-(1H-indol-3-yl)-2-(2-naphthylsulfonylamino)propanoyl]amino]methyl]morpholine-4-carboxylate CAS Name: 3-tert-butyl-3-[[[3-(1H-indol-3-yl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]amino]methyl]-4-morpholinecarboxylate IUPAC Name: 3-tert-butyl-3-[[[3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]amino]methyl]morpholine-4-carboxylate Traditional Name: 3-tert-butyl-3-[[[3-(1H-indol-3-yl)-2-(2-naphthylsulfonylamino)propanoyl]amino]methyl]morpholine-4-carboxylate Formula: C31H35N4O6S- MolecularWeight: 591.6978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(COCCN1C(=O)[O-])CNC(=O)C(CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)(C)C1(COCCN1C(=O)[O-])CNC(=O)C(CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H36N4O6S/c1-30(2,3)31(20-41-15-14-35(31)29(37)38)19-33-28(36)27(17-23-18-32-26-11-7-6-10-25(23)26)34-42(39,40)24-13-12-21-8-4-5-9-22(21)16-24/h4-13,16,18,27,32,34H,14-15,17,19-20H2,1-3H3,(H,33,36)(H,37,38)/p-1