methyl (2S)-2-[[3-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]carbamothioyl]phenyl]carbothioylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[3-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]carbamothioyl]phenyl]carbothioylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[3-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]carbamothioyl]benzenecarbothioyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[3-[[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-sulfanylidenemethyl]phenyl]-sulfanylidenemethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamothioyl]benzenecarbothioyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]thiocarbamoyl]thiobenzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C28H28N2O4S2 MolecularWeight: 520.66292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=S)C2=CC(=CC=C2)C(=S)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=S)C2=CC(=CC=C2)C(=S)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C28H28N2O4S2/c1-33-27(31)23(16-19-10-5-3-6-11-19)29-25(35)21-14-9-15-22(18-21)26(36)30-24(28(32)34-2)17-20-12-7-4-8-13-20/h3-15,18,23-24H,16-17H2,1-2H3,(H,29,35)(H,30,36)/t23-,24-/m0/s1