N-[(2S)-2-azanyl-4-phenyl-butanoyl]-N-[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-sulfanyl-pentanamide

Systemtic Name: N-[(2S)-2-azanyl-4-phenyl-butanoyl]-N-[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-sulfanyl-pentanamide Openeye Name: N-[(2S)-2-amino-4-phenyl-butanoyl]-N-[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]-2-sulfanyl-pentanamide CAS Name: N-[(2S)-2-amino-1-oxo-4-phenylbutyl]-2-mercapto-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide IUPAC Name: N-[(2S)-2-amino-4-phenylbutanoyl]-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-sulfanylpentanamide Traditional Name: N-[(2S)-2-amino-4-phenyl-butanoyl]-N-[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]-2-mercapto-valeramide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC)C(=O)C(CCC2=CC=CC=C2)N)S

Isomeric SMILES

CCCC(C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)NC)C(=O)[C@H](CCC2=CC=CC=C2)N)S

InChI

InChI=1S/C25H33N3O3S/c1-3-10-22(32)25(31)28(21(23(29)27-2)17-19-13-8-5-9-14-19)24(30)20(26)16-15-18-11-6-4-7-12-18/h4-9,11-14,20-22,32H,3,10,15-17,26H2,1-2H3,(H,27,29)/t20-,21-,22?/m0/s1