methyl 4-(naphthalen-2-ylsulfonylmethyl)-5-oxidanylidene-5-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-pentyl-amino]pentanoate

Systemtic Name: methyl 4-(naphthalen-2-ylsulfonylmethyl)-5-oxidanylidene-5-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-pentyl-amino]pentanoate Openeye Name: methyl 5-[[2-(isopropylamino)-2-oxo-ethyl]-pentyl-amino]-4-(2-naphthylsulfonylmethyl)-5-oxo-pentanoate CAS Name: 4-(2-naphthalenylsulfonylmethyl)-5-oxo-5-[[2-oxo-2-(propan-2-ylamino)ethyl]-pentylamino]pentanoic acid methyl ester IUPAC Name: methyl 4-(naphthalen-2-ylsulfonylmethyl)-5-oxo-5-[[2-oxo-2-(propan-2-ylamino)ethyl]-pentylamino]pentanoate Traditional Name: 5-[amyl-[2-(isopropylamino)-2-keto-ethyl]amino]-5-keto-4-(2-naphthylsulfonylmethyl)valeric acid methyl ester Formula: C27H38N2O6S MolecularWeight: 518.66542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)NC(C)C)C(=O)C(CCC(=O)OC)CS(=O)(=O)C1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCCN(CC(=O)NC(C)C)C(=O)C(CCC(=O)OC)CS(=O)(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C27H38N2O6S/c1-5-6-9-16-29(18-25(30)28-20(2)3)27(32)23(13-15-26(31)35-4)19-36(33,34)24-14-12-21-10-7-8-11-22(21)17-24/h7-8,10-12,14,17,20,23H,5-6,9,13,15-16,18-19H2,1-4H3,(H,28,30)