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

Systemtic Name: methyl 2-azanyl-6-[(4-methylphenyl)sulfonylamino]-2-[[1-oxidanylidene-1-[[1-oxidanyl-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-3-phenyl-propan-2-yl]carbamoyl]hexanoate Openeye Name: methyl 2-amino-2-[[1-benzyl-2-[[5-(benzyloxycarbonylamino)-1-(hydroxymethyl)pentyl]amino]-2-oxo-ethyl]carbamoyl]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-amino-2-[[[1-[[1-hydroxy-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 2-amino-2-[[1-[[1-hydroxy-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-amino-2-[[1-benzyl-2-[[5-(benzyloxycarbonylamino)-1-methylol-pentyl]amino]-2-keto-ethyl]carbamoyl]-6-(tosylamino)hexanoic acid methyl ester Formula: C38H51N5O9S MolecularWeight: 753.90464

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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)CO)(C(=O)OC)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)CO)(C(=O)OC)N

InChI

InChI=1S/C38H51N5O9S/c1-28-18-20-32(21-19-28)53(49,50)41-24-12-10-22-38(39,36(47)51-2)35(46)43-33(25-29-13-5-3-6-14-29)34(45)42-31(26-44)17-9-11-23-40-37(48)52-27-30-15-7-4-8-16-30/h3-8,13-16,18-21,31,33,41,44H,9-12,17,22-27,39H2,1-2H3,(H,40,48)(H,42,45)(H,43,46)