methyl 2-butyl-3,6-dimethyl-4-(phenylmethoxycarbonylamino)-3-phosphorosooxy-heptanoate

Systemtic Name: methyl 2-butyl-3,6-dimethyl-4-(phenylmethoxycarbonylamino)-3-phosphorosooxy-heptanoate Openeye Name: methyl 4-(benzyloxycarbonylamino)-2-butyl-3,6-dimethyl-3-phosphorosooxy-heptanoate CAS Name: 2-butyl-3,6-dimethyl-4-(phenylmethoxycarbonylamino)-3-phosphorosooxyheptanoic acid methyl ester IUPAC Name: methyl 2-butyl-3,6-dimethyl-4-(phenylmethoxycarbonylamino)-3-phosphorosooxyheptanoate Traditional Name: 4-(benzyloxycarbonylamino)-2-butyl-3,6-dimethyl-3-phosphorosooxy-enanthic acid methyl ester Formula: C22H34NO6P MolecularWeight: 439.482221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)C(C)(C(CC(C)C)NC(=O)OCC1=CC=CC=C1)OP=O

Isomeric SMILES

CCCCC(C(=O)OC)C(C)(C(CC(C)C)NC(=O)OCC1=CC=CC=C1)OP=O

InChI

InChI=1S/C22H34NO6P/c1-6-7-13-18(20(24)27-5)22(4,29-30-26)19(14-16(2)3)23-21(25)28-15-17-11-9-8-10-12-17/h8-12,16,18-19H,6-7,13-15H2,1-5H3,(H,23,25)