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

Systemtic Name: N-(2-azanyl-4-phenyl-butanoyl)-N-[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-3-oxidanylidene-2-propan-2-yl-4-sulfanylidene-butanamide Openeye Name: N-(2-amino-4-phenyl-butanoyl)-N-[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]-2-isopropyl-3-oxo-4-thioxo-butanamide CAS Name: N-(2-amino-1-oxo-4-phenylbutyl)-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-2-propan-2-yl-4-sulfanylidenebutanamide IUPAC Name: N-(2-amino-4-phenylbutanoyl)-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-2-propan-2-yl-4-sulfanylidenebutanamide Traditional Name: N-(2-amino-4-phenyl-butanoyl)-N-[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]-2-isopropyl-3-keto-4-thioxo-butyramide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O4S/c1-18(2)24(23(31)17-35)27(34)30(22(25(32)29-3)16-20-12-8-5-9-13-20)26(33)21(28)15-14-19-10-6-4-7-11-19/h4-13,17-18,21-22,24H,14-16,28H2,1-3H3,(H,29,32)/t21?,22-,24?/m0/s1