(3S)-3-[[[(2R)-2-azanyl-3-naphthalen-1-yl-propanoyl]amino]methyl]-5-methyl-hexanoic acid

Systemtic Name: (3S)-3-[[[(2R)-2-azanyl-3-naphthalen-1-yl-propanoyl]amino]methyl]-5-methyl-hexanoic acid Openeye Name: (3S)-3-[[[(2R)-2-amino-3-(1-naphthyl)propanoyl]amino]methyl]-5-methyl-hexanoic acid CAS Name: (3S)-3-[[[(2R)-2-amino-3-(1-naphthalenyl)-1-oxopropyl]amino]methyl]-5-methylhexanoic acid IUPAC Name: (3S)-3-[[[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]amino]methyl]-5-methylhexanoic acid Traditional Name: (3S)-3-[[[(2R)-2-amino-3-(1-naphthyl)propanoyl]amino]methyl]-5-methyl-hexanoic acid Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)O)CNC(=O)C(CC1=CC=CC2=CC=CC=C21)N

Isomeric SMILES

CC(C)C[C@@H](CC(=O)O)CNC(=O)[C@@H](CC1=CC=CC2=CC=CC=C21)N

InChI

InChI=1S/C21H28N2O3/c1-14(2)10-15(11-20(24)25)13-23-21(26)19(22)12-17-8-5-7-16-6-3-4-9-18(16)17/h3-9,14-15,19H,10-13,22H2,1-2H3,(H,23,26)(H,24,25)/t15-,19+/m0/s1