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

Systemtic Name: 2-methylpropyl 2-azanyl-2-[[1-[[1-methoxy-1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: isobutyl 2-amino-2-[[1-benzyl-2-[[5-(benzyloxycarbonylamino)-1-methoxycarbonyl-pentyl]amino]-2-oxo-ethyl]carbamoyl]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-amino-2-[[[1-[[1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-amino-2-[[1-[[1-methoxy-1-oxo-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-carbomethoxy-pentyl]amino]-2-keto-ethyl]carbamoyl]-6-(tosylamino)hexanoic acid isobutyl ester Formula: C42H57N5O10S MolecularWeight: 823.99448

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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)OC)(C(=O)OCC(C)C)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)OC)(C(=O)OCC(C)C)N

InChI

InChI=1S/C42H57N5O10S/c1-30(2)28-56-40(51)42(43,24-12-14-26-45-58(53,54)34-22-20-31(3)21-23-34)39(50)47-36(27-32-15-7-5-8-16-32)37(48)46-35(38(49)55-4)19-11-13-25-44-41(52)57-29-33-17-9-6-10-18-33/h5-10,15-18,20-23,30,35-36,45H,11-14,19,24-29,43H2,1-4H3,(H,44,52)(H,46,48)(H,47,50)