3-[[[3-(naphthalen-2-ylsulfonylamino)-2-(phenylmethoxycarbonylamino)propanoyl]amino]methyl]piperidine-1-carboxylic acid

Systemtic Name: 3-[[[3-(naphthalen-2-ylsulfonylamino)-2-(phenylmethoxycarbonylamino)propanoyl]amino]methyl]piperidine-1-carboxylic acid Openeye Name: 3-[[[2-(benzyloxycarbonylamino)-3-(2-naphthylsulfonylamino)propanoyl]amino]methyl]piperidine-1-carboxylic acid CAS Name: 3-[[[3-(2-naphthalenylsulfonylamino)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]methyl]-1-piperidinecarboxylic acid IUPAC Name: 3-[[[3-(naphthalen-2-ylsulfonylamino)-2-(phenylmethoxycarbonylamino)propanoyl]amino]methyl]piperidine-1-carboxylic acid Traditional Name: 3-[[[2-(benzyloxycarbonylamino)-3-(2-naphthylsulfonylamino)propanoyl]amino]methyl]piperidine-1-carboxylic acid Formula: C28H32N4O7S MolecularWeight: 568.64128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)O)CNC(=O)C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)O)CNC(=O)C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O7S/c33-26(29-16-21-9-6-14-32(18-21)28(35)36)25(31-27(34)39-19-20-7-2-1-3-8-20)17-30-40(37,38)24-13-12-22-10-4-5-11-23(22)15-24/h1-5,7-8,10-13,15,21,25,30H,6,9,14,16-19H2,(H,29,33)(H,31,34)(H,35,36)