methyl (2S)-2-[[4-(aminomethyl)-2-naphthalen-1-yl-phenyl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[4-(aminomethyl)-2-naphthalen-1-yl-phenyl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[4-(aminomethyl)-2-(1-naphthyl)benzoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[4-(aminomethyl)-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(aminomethyl)-2-naphthalen-1-ylbenzoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-(aminomethyl)-2-(1-naphthyl)benzoyl]amino]-4-methyl-valeric acid methyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)CN)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)C1=C(C=C(C=C1)CN)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H28N2O3/c1-16(2)13-23(25(29)30-3)27-24(28)21-12-11-17(15-26)14-22(21)20-10-6-8-18-7-4-5-9-19(18)20/h4-12,14,16,23H,13,15,26H2,1-3H3,(H,27,28)/t23-/m0/s1