(phenylmethyl) 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[2-(4-naphthalen-2-ylbutanoyl)-2-pentyl-hydrazinyl]-6-oxidanylidene-hexanoate

Systemtic Name: (phenylmethyl) 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[2-(4-naphthalen-2-ylbutanoyl)-2-pentyl-hydrazinyl]-6-oxidanylidene-hexanoate Openeye Name: benzyl 5-(tert-butoxycarbonylamino)-6-[2-[4-(2-naphthyl)butanoyl]-2-pentyl-hydrazino]-6-oxo-hexanoate CAS Name: 5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-[2-[4-(2-naphthalenyl)-1-oxobutyl]-2-pentylhydrazinyl]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[2-(4-naphthalen-2-ylbutanoyl)-2-pentylhydrazinyl]-6-oxohexanoate Traditional Name: 6-[N'-amyl-N'-[4-(2-naphthyl)butanoyl]hydrazino]-5-(tert-butoxycarbonylamino)-6-keto-hexanoic acid benzyl ester Formula: C37H49N3O6 MolecularWeight: 631.80146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(=O)CCCC1=CC2=CC=CC=C2C=C1)NC(=O)C(CCCC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCN(C(=O)CCCC1=CC2=CC=CC=C2C=C1)NC(=O)C(CCCC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C37H49N3O6/c1-5-6-12-25-40(33(41)21-13-17-28-23-24-30-18-10-11-19-31(30)26-28)39-35(43)32(38-36(44)46-37(2,3)4)20-14-22-34(42)45-27-29-15-8-7-9-16-29/h7-11,15-16,18-19,23-24,26,32H,5-6,12-14,17,20-22,25,27H2,1-4H3,(H,38,44)(H,39,43)