(3S,4R,5S)-5-methyl-3-oxidanyl-4-(phenylmethoxycarbonylamino)heptanoic acid

Systemtic Name: (3S,4R,5S)-5-methyl-3-oxidanyl-4-(phenylmethoxycarbonylamino)heptanoic acid Openeye Name: (3S,4R,5S)-4-(benzyloxycarbonylamino)-3-hydroxy-5-methyl-heptanoic acid CAS Name: (3S,4R,5S)-3-hydroxy-5-methyl-4-(phenylmethoxycarbonylamino)heptanoic acid IUPAC Name: (3S,4R,5S)-3-hydroxy-5-methyl-4-(phenylmethoxycarbonylamino)heptanoic acid Traditional Name: (3S,4R,5S)-4-(benzyloxycarbonylamino)-3-hydroxy-5-methyl-enanthic acid Formula: C16H23NO5 MolecularWeight: 309.35752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO5/c1-3-11(2)15(13(18)9-14(19)20)17-16(21)22-10-12-7-5-4-6-8-12/h4-8,11,13,15,18H,3,9-10H2,1-2H3,(H,17,21)(H,19,20)/t11-,13-,15+/m0/s1