methyl (3S)-5-methyl-3-[[(2S)-3-naphthalen-2-yl-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]carbamoyl]hexanoate

Systemtic Name: methyl (3S)-5-methyl-3-[[(2S)-3-naphthalen-2-yl-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]carbamoyl]hexanoate Openeye Name: methyl (3S)-3-[[(1S)-2-(benzylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamoyl]-5-methyl-hexanoate CAS Name: (3S)-5-methyl-3-[[[(2S)-3-(2-naphthalenyl)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]amino]-oxomethyl]hexanoic acid methyl ester IUPAC Name: methyl (3S)-3-[[(2S)-1-(benzylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-5-methylhexanoate Traditional Name: (3S)-3-[[(1S)-2-(benzylamino)-2-keto-1-(2-naphthylmethyl)ethyl]carbamoyl]-5-methyl-hexanoic acid methyl ester Formula: C29H34N2O4 MolecularWeight: 474.59126

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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)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](CC(=O)OC)C(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C29H34N2O4/c1-20(2)15-25(18-27(32)35-3)28(33)31-26(29(34)30-19-21-9-5-4-6-10-21)17-22-13-14-23-11-7-8-12-24(23)16-22/h4-14,16,20,25-26H,15,17-19H2,1-3H3,(H,30,34)(H,31,33)/t25-,26-/m0/s1