N-[(2R)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-4-(dimethylamino)benzamide

Systemtic Name: N-[(2R)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-4-(dimethylamino)benzamide Openeye Name: N-[(1R)-2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]-4-(dimethylamino)benzamide CAS Name: N-[(2R)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]-4-(dimethylamino)benzamide IUPAC Name: N-[(2R)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]-4-(dimethylamino)benzamide Traditional Name: N-[(1R)-2-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]-4-(dimethylamino)benzamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)NC(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C21H26N4O3S/c1-25(2)16-10-8-15(9-11-16)20(27)24-18(13-29)21(28)23-17(19(22)26)12-14-6-4-3-5-7-14/h3-11,17-18,29H,12-13H2,1-2H3,(H2,22,26)(H,23,28)(H,24,27)/t17-,18-/m0/s1