methyl (4R,5S)-6-methyl-2-methylidene-4-oxidanyl-5-(phenylmethoxycarbonylamino)heptanoate

Systemtic Name: methyl (4R,5S)-6-methyl-2-methylidene-4-oxidanyl-5-(phenylmethoxycarbonylamino)heptanoate Openeye Name: methyl (4R,5S)-5-(benzyloxycarbonylamino)-4-hydroxy-6-methyl-2-methylene-heptanoate CAS Name: (4R,5S)-4-hydroxy-6-methyl-2-methylene-5-(phenylmethoxycarbonylamino)heptanoic acid methyl ester IUPAC Name: methyl (4R,5S)-4-hydroxy-6-methyl-2-methylidene-5-(phenylmethoxycarbonylamino)heptanoate Traditional Name: 2-[(2R,3S)-3-(benzyloxycarbonylamino)-2-hydroxy-4-methyl-pentyl]acrylic acid methyl ester Formula: C18H25NO5 MolecularWeight: 335.3948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H]([C@@H](CC(=C)C(=O)OC)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H25NO5/c1-12(2)16(15(20)10-13(3)17(21)23-4)19-18(22)24-11-14-8-6-5-7-9-14/h5-9,12,15-16,20H,3,10-11H2,1-2,4H3,(H,19,22)/t15-,16+/m1/s1