methyl (3R)-5-methyl-3-[[(2S)-1-(3-morpholin-4-ylpropylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]carbamoyl]hexanoate

Systemtic Name: methyl (3R)-5-methyl-3-[[(2S)-1-(3-morpholin-4-ylpropylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]carbamoyl]hexanoate Openeye Name: methyl (3R)-5-methyl-3-[[(1S)-2-(3-morpholinopropylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamoyl]hexanoate CAS Name: (3R)-5-methyl-3-[[[(2S)-1-[3-(4-morpholinyl)propylamino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-oxomethyl]hexanoic acid methyl ester IUPAC Name: methyl (3R)-5-methyl-3-[[(2S)-1-(3-morpholin-4-ylpropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]hexanoate Traditional Name: (3R)-3-[[(1S)-2-keto-2-(3-morpholinopropylamino)-1-(2-naphthylmethyl)ethyl]carbamoyl]-5-methyl-hexanoic acid methyl ester Formula: C29H41N3O5 MolecularWeight: 511.65294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)OC)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NCCCN3CCOCC3

Isomeric SMILES

CC(C)C[C@H](CC(=O)OC)C(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)NCCCN3CCOCC3

InChI

InChI=1S/C29H41N3O5/c1-21(2)17-25(20-27(33)36-3)28(34)31-26(19-22-9-10-23-7-4-5-8-24(23)18-22)29(35)30-11-6-12-32-13-15-37-16-14-32/h4-5,7-10,18,21,25-26H,6,11-17,19-20H2,1-3H3,(H,30,35)(H,31,34)/t25-,26+/m1/s1