[(2S)-1-[[1-[[(2S,3S)-1-cyclohexyl-3-oxidanyl-5-pyridin-2-ylsulfanyl-pentan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl] 4-azanylpiperidine-1-carboxylate

Systemtic Name: [(2S)-1-[[1-[[(2S,3S)-1-cyclohexyl-3-oxidanyl-5-pyridin-2-ylsulfanyl-pentan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl] 4-azanylpiperidine-1-carboxylate Openeye Name: [(1S)-1-benzyl-2-[[1-[[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-(2-pyridylsulfanyl)butyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-2-oxo-ethyl] 4-aminopiperidine-1-carboxylate CAS Name: 4-amino-1-piperidinecarboxylic acid [(2S)-1-[[1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-5-(2-pyridinylthio)pentan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] ester IUPAC Name: [(2S)-1-[[1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-5-pyridin-2-ylsulfanylpentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] 4-aminopiperidine-1-carboxylate Traditional Name: 4-aminopiperidine-1-carboxylic acid [(1S)-1-benzyl-2-[[1-[[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-(2-pyridylthio)butyl]carbamoyl]-3-(methylthio)propyl]amino]-2-keto-ethyl] ester Formula: C36H53N5O5S2 MolecularWeight: 699.96652

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CC1CCCCC1)C(CCSC2=CC=CC=N2)O)NC(=O)C(CC3=CC=CC=C3)OC(=O)N4CCC(CC4)N

Isomeric SMILES

CSCCC(C(=O)N[C@@H](CC1CCCCC1)[C@H](CCSC2=CC=CC=N2)O)NC(=O)[C@H](CC3=CC=CC=C3)OC(=O)N4CCC(CC4)N

InChI

InChI=1S/C36H53N5O5S2/c1-47-22-17-29(39-35(44)32(25-27-12-6-3-7-13-27)46-36(45)41-20-15-28(37)16-21-41)34(43)40-30(24-26-10-4-2-5-11-26)31(42)18-23-48-33-14-8-9-19-38-33/h3,6-9,12-14,19,26,28-32,42H,2,4-5,10-11,15-18,20-25,37H2,1H3,(H,39,44)(H,40,43)/t29?,30-,31-,32-/m0/s1