2-methylpropyl N-[2-[2-[[1-[[2-[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanyl-1-oxidanylidene-hexan-3-yl]carbamoyl]-4-(phenylsulfonylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]carbamate

Systemtic Name: 2-methylpropyl N-[2-[2-[[1-[[2-[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanyl-1-oxidanylidene-hexan-3-yl]carbamoyl]-4-(phenylsulfonylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]carbamate Openeye Name: isobutyl N-[2-[2-[1-[2-[[2-[(2-amino-2-oxo-1-phenyl-ethyl)amino]-2-oxo-ethyl]amino]-1-hydroxy-2-oxo-ethyl]butylcarbamoyl]-4-(benzenesulfonamido)pyrrolidin-1-yl]-1-cyclohexyl-2-oxo-ethyl]carbamate CAS Name: N-[2-[2-[[[1-[[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]amino]-oxomethyl]-4-(benzenesulfonamido)-1-pyrrolidinyl]-1-cyclohexyl-2-oxoethyl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[2-[2-[[1-[[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-4-(benzenesulfonamido)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate Traditional Name: N-[2-[2-[1-[2-[[2-[(2-amino-2-keto-1-phenyl-ethyl)amino]-2-keto-ethyl]amino]-1-hydroxy-2-keto-ethyl]butylcarbamoyl]-4-(benzenesulfonamido)pyrrolidino]-1-cyclohexyl-2-keto-ethyl]carbamic acid isobutyl ester Formula: C40H57N7O10S MolecularWeight: 827.98648

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)N)O)NC(=O)C2CC(CN2C(=O)C(C3CCCCC3)NC(=O)OCC(C)C)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCC(C(C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)N)O)NC(=O)C2CC(CN2C(=O)C(C3CCCCC3)NC(=O)OCC(C)C)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C40H57N7O10S/c1-4-14-30(35(49)38(52)42-22-32(48)44-33(36(41)50)26-15-8-5-9-16-26)43-37(51)31-21-28(46-58(55,56)29-19-12-7-13-20-29)23-47(31)39(53)34(27-17-10-6-11-18-27)45-40(54)57-24-25(2)3/h5,7-9,12-13,15-16,19-20,25,27-28,30-31,33-35,46,49H,4,6,10-11,14,17-18,21-24H2,1-3H3,(H2,41,50)(H,42,52)(H,43,51)(H,44,48)(H,45,54)