(2R)-N-[(2S)-1-(anthracen-2-ylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-2-(sulfanylmethyl)hexanamide

Systemtic Name: (2R)-N-[(2S)-1-(anthracen-2-ylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-2-(sulfanylmethyl)hexanamide Openeye Name: (2R)-N-[(1S)-1-(2-anthrylcarbamoyl)-3-methyl-butyl]-2-(sulfanylmethyl)hexanamide CAS Name: (2R)-N-[(2S)-1-(2-anthracenylamino)-4-methyl-1-oxopentan-2-yl]-2-(mercaptomethyl)hexanamide IUPAC Name: (2R)-N-[(2S)-1-(anthracen-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-(sulfanylmethyl)hexanamide Traditional Name: (2R)-N-[(1S)-1-(2-anthrylcarbamoyl)-3-methyl-butyl]-2-(mercaptomethyl)hexanamide Formula: C27H34N2O2S MolecularWeight: 450.63606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CS)C(=O)NC(CC(C)C)C(=O)NC1=CC2=CC3=CC=CC=C3C=C2C=C1

Isomeric SMILES

CCCC[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)NC1=CC2=CC3=CC=CC=C3C=C2C=C1

InChI

InChI=1S/C27H34N2O2S/c1-4-5-8-22(17-32)26(30)29-25(13-18(2)3)27(31)28-24-12-11-21-14-19-9-6-7-10-20(19)15-23(21)16-24/h6-7,9-12,14-16,18,22,25,32H,4-5,8,13,17H2,1-3H3,(H,28,31)(H,29,30)/t22-,25-/m0/s1