tert-butyl 6-methoxy-4-[(4-methoxyphenyl)methyl-oxidanyl-amino]-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]non-2-ynoate

Systemtic Name: tert-butyl 6-methoxy-4-[(4-methoxyphenyl)methyl-oxidanyl-amino]-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]non-2-ynoate Openeye Name: tert-butyl 5-(tert-butoxycarbonylamino)-4-[hydroxy-[(4-methoxyphenyl)methyl]amino]-6-methoxy-6-methyl-non-2-ynoate CAS Name: 4-[hydroxy-[(4-methoxyphenyl)methyl]amino]-6-methoxy-6-methyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-nonynoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[hydroxy-[(4-methoxyphenyl)methyl]amino]-6-methoxy-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]non-2-ynoate Traditional Name: 5-(tert-butoxycarbonylamino)-4-[hydroxy(p-anisyl)amino]-6-methoxy-6-methyl-non-2-ynoic acid tert-butyl ester Formula: C28H44N2O7 MolecularWeight: 520.65816

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(C(C#CC(=O)OC(C)(C)C)N(CC1=CC=C(C=C1)OC)O)NC(=O)OC(C)(C)C)OC

Isomeric SMILES

CCCC(C)(C(C(C#CC(=O)OC(C)(C)C)N(CC1=CC=C(C=C1)OC)O)NC(=O)OC(C)(C)C)OC

InChI

InChI=1S/C28H44N2O7/c1-11-18-28(8,35-10)24(29-25(32)37-27(5,6)7)22(16-17-23(31)36-26(2,3)4)30(33)19-20-12-14-21(34-9)15-13-20/h12-15,22,24,33H,11,18-19H2,1-10H3,(H,29,32)