(phenylmethyl) (2S)-2-[2-[[3-[[1-[(3-chlorophenyl)methyl]-3-[2-cyclohexyl-2-(2-methylpropoxycarbonylamino)ethanoyl]-2-oxidanylidene-imidazolidin-4-yl]carbonylamino]-2-oxidanylidene-hexanoyl]amino]ethanoyloxy]-2-phenyl-ethanoate

Systemtic Name: (phenylmethyl) (2S)-2-[2-[[3-[[1-[(3-chlorophenyl)methyl]-3-[2-cyclohexyl-2-(2-methylpropoxycarbonylamino)ethanoyl]-2-oxidanylidene-imidazolidin-4-yl]carbonylamino]-2-oxidanylidene-hexanoyl]amino]ethanoyloxy]-2-phenyl-ethanoate Openeye Name: benzyl (2S)-2-[2-[[3-[[1-[(3-chlorophenyl)methyl]-3-[2-cyclohexyl-2-(isobutoxycarbonylamino)acetyl]-2-oxo-imidazolidine-4-carbonyl]amino]-2-oxo-hexanoyl]amino]acetyl]oxy-2-phenyl-acetate CAS Name: (2S)-2-[2-[[3-[[[1-[(3-chlorophenyl)methyl]-3-[2-cyclohexyl-2-[[2-methylpropoxy(oxo)methyl]amino]-1-oxoethyl]-2-oxo-4-imidazolidinyl]-oxomethyl]amino]-1,2-dioxohexyl]amino]-1-oxoethoxy]-2-phenylacetic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[2-[[3-[[1-[(3-chlorophenyl)methyl]-3-[2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-oxoimidazolidine-4-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]oxy-2-phenylacetate Traditional Name: (2S)-2-[2-[[3-[[1-(3-chlorobenzyl)-3-[2-cyclohexyl-2-(isobutoxycarbonylamino)acetyl]-2-keto-imidazolidine-4-carbonyl]amino]-2-keto-hexanoyl]amino]acetyl]oxy-2-phenyl-acetic acid benzyl ester Formula: C47H56ClN5O11 MolecularWeight: 902.42744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)OC(C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)C3CN(C(=O)N3C(=O)C(C4CCCCC4)NC(=O)OCC(C)C)CC5=CC(=CC=C5)Cl

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)O[C@@H](C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)C3CN(C(=O)N3C(=O)C(C4CCCCC4)NC(=O)OCC(C)C)CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C47H56ClN5O11/c1-4-15-36(40(55)43(57)49-25-38(54)64-41(34-21-12-7-13-22-34)45(59)62-29-31-16-8-5-9-17-31)50-42(56)37-27-52(26-32-18-14-23-35(48)24-32)47(61)53(37)44(58)39(33-19-10-6-11-20-33)51-46(60)63-28-30(2)3/h5,7-9,12-14,16-18,21-24,30,33,36-37,39,41H,4,6,10-11,15,19-20,25-29H2,1-3H3,(H,49,57)(H,50,56)(H,51,60)/t36?,37?,39?,41-/m0/s1