(phenylmethyl) (4R,5S)-2-ethyl-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(oxan-2-yloxy)-3-oxidanylidene-octanoate

Systemtic Name: (phenylmethyl) (4R,5S)-2-ethyl-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(oxan-2-yloxy)-3-oxidanylidene-octanoate Openeye Name: benzyl (4R,5S)-5-(tert-butoxycarbonylamino)-2-ethyl-7-methyl-3-oxo-4-tetrahydropyran-2-yloxy-octanoate CAS Name: (4R,5S)-2-ethyl-7-methyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(2-oxanyloxy)-3-oxooctanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4R,5S)-2-ethyl-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(oxan-2-yloxy)-3-oxooctanoate Traditional Name: (4R,5S)-5-(tert-butoxycarbonylamino)-2-ethyl-3-keto-7-methyl-4-tetrahydropyran-2-yloxy-caprylic acid benzyl ester Formula: C28H43NO7 MolecularWeight: 505.64352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(C(CC(C)C)NC(=O)OC(C)(C)C)OC1CCCCO1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)[C@@H]([C@H](CC(C)C)NC(=O)OC(C)(C)C)OC1CCCCO1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H43NO7/c1-7-21(26(31)34-18-20-13-9-8-10-14-20)24(30)25(35-23-15-11-12-16-33-23)22(17-19(2)3)29-27(32)36-28(4,5)6/h8-10,13-14,19,21-23,25H,7,11-12,15-18H2,1-6H3,(H,29,32)/t21?,22-,23?,25+/m0/s1