N-[3-methyl-1-[[1-[[(1E)-5-methyl-1-(phenylmethyl)sulfonyl-hexa-1,4-dien-3-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-(phenylmethyl)piperidine-1-carboxamide

Systemtic Name: N-[3-methyl-1-[[1-[[(1E)-5-methyl-1-(phenylmethyl)sulfonyl-hexa-1,4-dien-3-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-(phenylmethyl)piperidine-1-carboxamide Openeye Name: 4-benzyl-N-[1-[[1-[[1-[(E)-2-benzylsulfonylvinyl]-3-methyl-but-2-enyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoyl]-2-methyl-propyl]piperidine-1-carboxamide CAS Name: N-[3-methyl-1-[[1-[[(1E)-5-methyl-1-(phenylmethyl)sulfonylhexa-1,4-dien-3-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-4-(phenylmethyl)-1-piperidinecarboxamide IUPAC Name: 4-benzyl-N-[1-[[1-[[(1E)-1-benzylsulfonyl-5-methylhexa-1,4-dien-3-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]piperidine-1-carboxamide Traditional Name: 4-benzyl-N-[1-[[1-[[1-[(E)-2-benzylsulfonylvinyl]-3-methyl-but-2-enyl]carbamoyl]-3-(methylthio)propyl]carbamoyl]-2-methyl-propyl]piperidine-1-carboxamide Formula: C37H52N4O5S2 MolecularWeight: 696.96258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCSC)C(=O)NC(C=CS(=O)(=O)CC1=CC=CC=C1)C=C(C)C)NC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NC(CCSC)C(=O)NC(/C=C/S(=O)(=O)CC1=CC=CC=C1)C=C(C)C)NC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C37H52N4O5S2/c1-27(2)24-32(19-23-48(45,46)26-31-14-10-7-11-15-31)38-35(42)33(18-22-47-5)39-36(43)34(28(3)4)40-37(44)41-20-16-30(17-21-41)25-29-12-8-6-9-13-29/h6-15,19,23-24,28,30,32-34H,16-18,20-22,25-26H2,1-5H3,(H,38,42)(H,39,43)(H,40,44)/b23-19+