methyl 4-[[(2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoyl]amino]benzoate

Systemtic Name: methyl 4-[[(2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoyl]amino]benzoate Openeye Name: methyl 4-[[(2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butanoyl]amino]benzoate CAS Name: 4-[[(2S)-3-methyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]benzoate Traditional Name: 4-[[(2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butanoyl]amino]benzoic acid methyl ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H26N2O4/c1-16(2)23(24(29)26-20-13-11-18(12-14-20)25(30)31-3)27-22(28)15-19-9-6-8-17-7-4-5-10-21(17)19/h4-14,16,23H,15H2,1-3H3,(H,26,29)(H,27,28)/t23-/m0/s1