3-[3-azanyl-1-ethoxy-5-(methylcarbamoyl)-6-(naphthalen-2-ylsulfonylamino)-1,4-bis(oxidanylidene)-7-phenyl-heptan-3-yl]piperidine-1-carboxylate

Systemtic Name: 3-[3-azanyl-1-ethoxy-5-(methylcarbamoyl)-6-(naphthalen-2-ylsulfonylamino)-1,4-bis(oxidanylidene)-7-phenyl-heptan-3-yl]piperidine-1-carboxylate Openeye Name: 3-[1-amino-1-(2-ethoxy-2-oxo-ethyl)-3-(methylcarbamoyl)-4-(2-naphthylsulfonylamino)-2-oxo-5-phenyl-pentyl]piperidine-1-carboxylate CAS Name: 3-[3-amino-1-ethoxy-5-(methylcarbamoyl)-6-(2-naphthalenylsulfonylamino)-1,4-dioxo-7-phenylheptan-3-yl]-1-piperidinecarboxylate IUPAC Name: 3-[3-amino-1-ethoxy-5-(methylcarbamoyl)-6-(naphthalen-2-ylsulfonylamino)-1,4-dioxo-7-phenylheptan-3-yl]piperidine-1-carboxylate Traditional Name: 3-[1-amino-1-(2-ethoxy-2-keto-ethyl)-2-keto-3-(methylcarbamoyl)-4-(2-naphthylsulfonylamino)-5-phenyl-pentyl]piperidine-1-carboxylate Formula: C33H39N4O8S- MolecularWeight: 651.74976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1CCCN(C1)C(=O)[O-])(C(=O)C(C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)NC)N

Isomeric SMILES

CCOC(=O)CC(C1CCCN(C1)C(=O)[O-])(C(=O)C(C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)NC)N

InChI

InChI=1S/C33H40N4O8S/c1-3-45-28(38)20-33(34,25-14-9-17-37(21-25)32(41)42)30(39)29(31(40)35-2)27(18-22-10-5-4-6-11-22)36-46(43,44)26-16-15-23-12-7-8-13-24(23)19-26/h4-8,10-13,15-16,19,25,27,29,36H,3,9,14,17-18,20-21,34H2,1-2H3,(H,35,40)(H,41,42)/p-1