2-(ethylsulfanylmethyl)-N-[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-(2-methylpropylsulfonylamino)propanamide

Systemtic Name: 2-(ethylsulfanylmethyl)-N-[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-(2-methylpropylsulfonylamino)propanamide Openeye Name: N-[1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-2-(ethylsulfanylmethyl)-3-(isobutylsulfonylamino)propanamide CAS Name: 2-[(ethylthio)methyl]-N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-(2-methylpropylsulfonylamino)propanamide IUPAC Name: 2-(ethylsulfanylmethyl)-N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-(2-methylpropylsulfonylamino)propanamide Traditional Name: N-[1-benzyl-2-hydroxy-3-(m-anisylamino)propyl]-2-[(ethylthio)methyl]-3-(isobutylsulfonylamino)propionamide Formula: C28H43N3O5S2 MolecularWeight: 565.78812

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(CNS(=O)(=O)CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(CNCC2=CC(=CC=C2)OC)O

Isomeric SMILES

CCSCC(CNS(=O)(=O)CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(CNCC2=CC(=CC=C2)OC)O

InChI

InChI=1S/C28H43N3O5S2/c1-5-37-19-24(17-30-38(34,35)20-21(2)3)28(33)31-26(15-22-10-7-6-8-11-22)27(32)18-29-16-23-12-9-13-25(14-23)36-4/h6-14,21,24,26-27,29-30,32H,5,15-20H2,1-4H3,(H,31,33)