(4-carbamimidoylmorpholin-2-yl)methyl (2R)-3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: (4-carbamimidoylmorpholin-2-yl)methyl (2R)-3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: (4-carbamimidoylmorpholin-2-yl)methyl (2R)-3-(1H-indol-3-yl)-2-(2-naphthylsulfonylamino)propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-(2-naphthalenylsulfonylamino)propanoic acid (4-carbamimidoyl-2-morpholinyl)methyl ester IUPAC Name: (4-carbamimidoylmorpholin-2-yl)methyl (2R)-3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-(2-naphthylsulfonylamino)propionic acid (4-amidinomorpholin-2-yl)methyl ester Formula: C27H29N5O5S MolecularWeight: 535.61466

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1C(=N)N)COC(=O)C(CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1COC(CN1C(=N)N)COC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H29N5O5S/c28-27(29)32-11-12-36-21(16-32)17-37-26(33)25(14-20-15-30-24-8-4-3-7-23(20)24)31-38(34,35)22-10-9-18-5-1-2-6-19(18)13-22/h1-10,13,15,21,25,30-31H,11-12,14,16-17H2,(H3,28,29)/t21?,25-/m1/s1