(2S)-N-[(2S)-1-(anthracen-2-ylamino)-6-azanyl-1-oxidanylidene-hexan-2-yl]-2-(sulfanylmethyl)hexanamide

Systemtic Name: (2S)-N-[(2S)-1-(anthracen-2-ylamino)-6-azanyl-1-oxidanylidene-hexan-2-yl]-2-(sulfanylmethyl)hexanamide Openeye Name: (2S)-N-[(1S)-5-amino-1-(2-anthrylcarbamoyl)pentyl]-2-(sulfanylmethyl)hexanamide CAS Name: (2S)-N-[(2S)-6-amino-1-(2-anthracenylamino)-1-oxohexan-2-yl]-2-(mercaptomethyl)hexanamide IUPAC Name: (2S)-N-[(2S)-6-amino-1-(anthracen-2-ylamino)-1-oxohexan-2-yl]-2-(sulfanylmethyl)hexanamide Traditional Name: (2S)-N-[(1S)-5-amino-1-(2-anthrylcarbamoyl)pentyl]-2-(mercaptomethyl)hexanamide Formula: C27H35N3O2S MolecularWeight: 465.6507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O2S/c1-2-3-8-22(18-33)26(31)30-25(11-6-7-14-28)27(32)29-24-13-12-21-15-19-9-4-5-10-20(19)16-23(21)17-24/h4-5,9-10,12-13,15-17,22,25,33H,2-3,6-8,11,14,18,28H2,1H3,(H,29,32)(H,30,31)/t22-,25+/m1/s1