methyl (2S)-2-methyl-3-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]-2-phenylsulfanyl-propanoate

Systemtic Name: methyl (2S)-2-methyl-3-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]-2-phenylsulfanyl-propanoate Openeye Name: methyl (2S)-2-methyl-3-[[(2S)-3-phenyl-2-(p-tolylsulfonylamino)propanoyl]amino]-2-phenylsulfanyl-propanoate CAS Name: (2S)-2-methyl-3-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]-2-(phenylthio)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-methyl-3-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-methyl-2-(phenylthio)-3-[[(2S)-3-phenyl-2-(tosylamino)propanoyl]amino]propionic acid methyl ester Formula: C27H30N2O5S2 MolecularWeight: 526.6675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NCC(C)(C(=O)OC)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC[C@@](C)(C(=O)OC)SC3=CC=CC=C3

InChI

InChI=1S/C27H30N2O5S2/c1-20-14-16-23(17-15-20)36(32,33)29-24(18-21-10-6-4-7-11-21)25(30)28-19-27(2,26(31)34-3)35-22-12-8-5-9-13-22/h4-17,24,29H,18-19H2,1-3H3,(H,28,30)/t24-,27-/m0/s1