N-[7-azanyl-12-methyl-8,9-bis(oxidanyl)-6-oxidanylidene-7-thiomorpholin-4-yl-tridecan-5-yl]-2-(ethylsulfonylmethyl)-3-naphthalen-1-yl-propanamide

Systemtic Name: N-[7-azanyl-12-methyl-8,9-bis(oxidanyl)-6-oxidanylidene-7-thiomorpholin-4-yl-tridecan-5-yl]-2-(ethylsulfonylmethyl)-3-naphthalen-1-yl-propanamide Openeye Name: N-(3-amino-1-butyl-4,5-dihydroxy-8-methyl-2-oxo-3-thiomorpholino-nonyl)-2-(ethylsulfonylmethyl)-3-(1-naphthyl)propanamide CAS Name: N-(7-amino-8,9-dihydroxy-12-methyl-6-oxo-7-thiomorpholin-4-yltridecan-5-yl)-2-(ethylsulfonylmethyl)-3-(1-naphthalenyl)propanamide IUPAC Name: N-(7-amino-8,9-dihydroxy-12-methyl-6-oxo-7-thiomorpholin-4-yltridecan-5-yl)-2-(ethylsulfonylmethyl)-3-naphthalen-1-ylpropanamide Traditional Name: N-(3-amino-1-butyl-4,5-dihydroxy-2-keto-8-methyl-3-thiomorpholino-nonyl)-2-(esylmethyl)-3-(1-naphthyl)propionamide Formula: C34H53N3O6S2 MolecularWeight: 663.93112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(C(C(CCC(C)C)O)O)(N)N1CCSCC1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)CS(=O)(=O)CC

Isomeric SMILES

CCCCC(C(=O)C(C(C(CCC(C)C)O)O)(N)N1CCSCC1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)CS(=O)(=O)CC

InChI

InChI=1S/C34H53N3O6S2/c1-5-7-15-29(31(39)34(35,37-18-20-44-21-19-37)32(40)30(38)17-16-24(3)4)36-33(41)27(23-45(42,43)6-2)22-26-13-10-12-25-11-8-9-14-28(25)26/h8-14,24,27,29-30,32,38,40H,5-7,15-23,35H2,1-4H3,(H,36,41)