N-tert-butyl-4-methoxy-2-[3-[[(2S)-2-(methylsulfonylamino)-3-naphthalen-2-ylsulfonyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]cyclohexane-1-carboxamide

Systemtic Name: N-tert-butyl-4-methoxy-2-[3-[[(2S)-2-(methylsulfonylamino)-3-naphthalen-2-ylsulfonyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]cyclohexane-1-carboxamide Openeye Name: N-tert-butyl-2-[2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-(2-naphthylsulfonyl)propanoyl]amino]-4-phenyl-butyl]-4-methoxy-cyclohexanecarboxamide CAS Name: N-tert-butyl-2-[2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-(2-naphthalenylsulfonyl)-1-oxopropyl]amino]-4-phenylbutyl]-4-methoxy-1-cyclohexanecarboxamide IUPAC Name: N-tert-butyl-2-[2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfonylpropanoyl]amino]-4-phenylbutyl]-4-methoxycyclohexane-1-carboxamide Traditional Name: N-tert-butyl-2-[2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-(2-naphthylsulfonyl)propanoyl]amino]-4-phenyl-butyl]-4-methoxy-cyclohexanecarboxamide Formula: C36H49N3O8S2 MolecularWeight: 715.91956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CCC(CC1CC(C(CC2=CC=CC=C2)NC(=O)C(CS(=O)(=O)C3=CC4=CC=CC=C4C=C3)NS(=O)(=O)C)O)OC

Isomeric SMILES

CC(C)(C)NC(=O)C1CCC(CC1CC(C(CC2=CC=CC=C2)NC(=O)[C@@H](CS(=O)(=O)C3=CC4=CC=CC=C4C=C3)NS(=O)(=O)C)O)OC

InChI

InChI=1S/C36H49N3O8S2/c1-36(2,3)38-34(41)30-18-16-28(47-4)20-27(30)22-33(40)31(19-24-11-7-6-8-12-24)37-35(42)32(39-48(5,43)44)23-49(45,46)29-17-15-25-13-9-10-14-26(25)21-29/h6-15,17,21,27-28,30-33,39-40H,16,18-20,22-23H2,1-5H3,(H,37,42)(H,38,41)/t27?,28?,30?,31?,32-,33?/m1/s1