methyl 4-[4-[3-[[azanyl-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylidene]amino]propyl]-2-[(2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-yl-propanoyl]pyrrolidin-2-yl]-5-oxidanylidene-1,3-oxazol-4-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-[3-[[azanyl-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylidene]amino]propyl]-2-[(2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-yl-propanoyl]pyrrolidin-2-yl]-5-oxidanylidene-1,3-oxazol-4-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-[3-[[amino-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylene]amino]propyl]-2-[(2S)-1-[2-(tert-butoxycarbonylamino)-3-(2-naphthyl)propanoyl]pyrrolidin-2-yl]-5-oxo-oxazol-4-yl]-4-oxo-butanoate CAS Name: 4-[4-[3-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]propyl]-2-[(2S)-1-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]-2-pyrrolidinyl]-5-oxo-4-oxazolyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[3-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]propyl]-2-[(2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoyl]pyrrolidin-2-yl]-5-oxo-1,3-oxazol-4-yl]-4-oxobutanoate Traditional Name: 4-[4-[3-[[amino-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylene]amino]propyl]-2-[(2S)-1-[2-(tert-butoxycarbonylamino)-3-(2-naphthyl)propanoyl]pyrrolidin-2-yl]-5-keto-2-oxazolin-4-yl]-4-keto-butyric acid methyl ester Formula: C44H56N6O11S MolecularWeight: 877.01404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCCC2(C(=O)OC(=N2)C3CCCN3C(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)OC(C)(C)C)C(=O)CCC(=O)OC)N)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCCC2(C(=O)OC(=N2)[C@@H]3CCCN3C(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)OC(C)(C)C)C(=O)CCC(=O)OC)N)C)C)OC

InChI

InChI=1S/C44H56N6O11S/c1-26-23-34(58-7)27(2)28(3)37(26)62(56,57)49-41(45)46-21-12-20-44(35(51)18-19-36(52)59-8)40(54)60-38(48-44)33-15-11-22-50(33)39(53)32(47-42(55)61-43(4,5)6)25-29-16-17-30-13-9-10-14-31(30)24-29/h9-10,13-14,16-17,23-24,32-33H,11-12,15,18-22,25H2,1-8H3,(H,47,55)(H3,45,46,49)/t32?,33-,44?/m0/s1