(phenylmethyl) 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-(3-oxidanylpropylamino)pentanoate

Systemtic Name: (phenylmethyl) 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-(3-oxidanylpropylamino)pentanoate Openeye Name: benzyl 4-(tert-butoxycarbonylamino)-5-(3-hydroxypropylamino)-5-oxo-pentanoate CAS Name: 5-(3-hydroxypropylamino)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(3-hydroxypropylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate Traditional Name: 4-(tert-butoxycarbonylamino)-5-(3-hydroxypropylamino)-5-keto-valeric acid benzyl ester Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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