methyl (2S)-1-[(2S)-2-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-(acetylthio)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCC3C(=O)OC

Isomeric SMILES

CC(=O)S[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)OC

InChI

InChI=1S/C26H30N2O5S/c1-18(29)34-23(17-20-12-7-4-8-13-20)24(30)27-21(16-19-10-5-3-6-11-19)25(31)28-15-9-14-22(28)26(32)33-2/h3-8,10-13,21-23H,9,14-17H2,1-2H3,(H,27,30)/t21-,22-,23-/m0/s1