methyl (4S)-5-(6-oxidanylhexylamino)-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: methyl (4S)-5-(6-oxidanylhexylamino)-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoate Openeye Name: methyl (4S)-4-(benzyloxycarbonylamino)-5-(6-hydroxyhexylamino)-5-oxo-pentanoate CAS Name: (4S)-5-(6-hydroxyhexylamino)-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl (4S)-5-(6-hydroxyhexylamino)-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (4S)-4-(benzyloxycarbonylamino)-5-(6-hydroxyhexylamino)-5-keto-valeric acid methyl ester Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O6/c1-27-18(24)12-11-17(19(25)21-13-7-2-3-8-14-23)22-20(26)28-15-16-9-5-4-6-10-16/h4-6,9-10,17,23H,2-3,7-8,11-15H2,1H3,(H,21,25)(H,22,26)/t17-/m0/s1