tert-butyl N-[(2S)-3-naphthalen-2-yl-1-oxidanylidene-1-[2-(phenylsulfonylamino)hexylamino]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-naphthalen-2-yl-1-oxidanylidene-1-[2-(phenylsulfonylamino)hexylamino]propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[2-(benzenesulfonamido)hexylamino]-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[2-(benzenesulfonamido)hexylamino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[2-(benzenesulfonamido)hexylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[2-(benzenesulfonamido)hexylamino]-2-keto-1-(2-naphthylmethyl)ethyl]carbamic acid tert-butyl ester Formula: C30H39N3O5S MolecularWeight: 553.71276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC(=O)C(CC1=CC2=CC=CC=C2C=C1)NC(=O)OC(C)(C)C)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC(CNC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)OC(C)(C)C)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C30H39N3O5S/c1-5-6-14-25(33-39(36,37)26-15-8-7-9-16-26)21-31-28(34)27(32-29(35)38-30(2,3)4)20-22-17-18-23-12-10-11-13-24(23)19-22/h7-13,15-19,25,27,33H,5-6,14,20-21H2,1-4H3,(H,31,34)(H,32,35)/t25?,27-/m0/s1