(phenylmethyl) 2-azanyl-6-[(4-methylphenyl)sulfonylamino]-2-[[1-oxidanylidene-1-[[1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-3-phenyl-propan-2-yl]carbamoyl]hexanoate

Systemtic Name: (phenylmethyl) 2-azanyl-6-[(4-methylphenyl)sulfonylamino]-2-[[1-oxidanylidene-1-[[1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-3-phenyl-propan-2-yl]carbamoyl]hexanoate Openeye Name: benzyl 2-amino-2-[[1-benzyl-2-[[5-(benzyloxycarbonylamino)-1-formyl-pentyl]amino]-2-oxo-ethyl]carbamoyl]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-amino-6-[(4-methylphenyl)sulfonylamino]-2-[oxo-[[1-oxo-1-[[1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-3-phenylpropan-2-yl]amino]methyl]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-6-[(4-methylphenyl)sulfonylamino]-2-[[1-oxo-1-[[1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-3-phenylpropan-2-yl]carbamoyl]hexanoate Traditional Name: 2-amino-2-[[1-benzyl-2-[[5-(benzyloxycarbonylamino)-1-formyl-pentyl]amino]-2-keto-ethyl]carbamoyl]-6-(tosylamino)hexanoic acid benzyl ester Formula: C44H53N5O9S MolecularWeight: 827.98472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C=O)(C(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C=O)(C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C44H53N5O9S/c1-33-22-24-38(25-23-33)59(55,56)47-28-14-12-26-44(45,42(53)57-31-35-17-7-3-8-18-35)41(52)49-39(29-34-15-5-2-6-16-34)40(51)48-37(30-50)21-11-13-27-46-43(54)58-32-36-19-9-4-10-20-36/h2-10,15-20,22-25,30,37,39,47H,11-14,21,26-29,31-32,45H2,1H3,(H,46,54)(H,48,51)(H,49,52)