S-[1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-propan-2-yl] ethanethioate

Systemtic Name: S-[1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-propan-2-yl] ethanethioate Openeye Name: S-[2-[[(1S)-1-benzyl-2-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-[(tert-butoxycarbonylamino)methyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: S-[1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[(1S)-1-benzyl-2-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]amino]-2-keto-ethyl]amino]-1-[(tert-butoxycarbonylamino)methyl]-2-keto-ethyl] ester Formula: C29H38N4O6S MolecularWeight: 570.70022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CNC(=O)OC(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC

Isomeric SMILES

CC(=O)SC(CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC

InChI

InChI=1S/C29H38N4O6S/c1-19(34)40-24(18-31-28(38)39-29(2,3)4)27(37)33-23(17-21-14-10-7-11-15-21)26(36)32-22(25(35)30-5)16-20-12-8-6-9-13-20/h6-15,22-24H,16-18H2,1-5H3,(H,30,35)(H,31,38)(H,32,36)(H,33,37)/t22-,23-,24?/m0/s1