3-[[4-methyl-2-[2-(naphthalen-1-ylamino)ethanoylamino]pentanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[4-methyl-2-[2-(naphthalen-1-ylamino)ethanoylamino]pentanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-methyl-2-[[2-(1-naphthylamino)acetyl]amino]pentanoyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[4-methyl-2-[[2-(1-naphthalenylamino)-1-oxoethyl]amino]-1-oxopentyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[4-methyl-2-[[2-(naphthalen-1-ylamino)acetyl]amino]pentanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[4-methyl-2-[[2-(1-naphthylamino)acetyl]amino]pentanoyl]amino]butyric acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C=O)NC(=O)CNC1=CC=CC2=CC=CC=C21

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(=O)O)C=O)NC(=O)CNC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C22H27N3O5/c1-14(2)10-19(22(30)24-16(13-26)11-21(28)29)25-20(27)12-23-18-9-5-7-15-6-3-4-8-17(15)18/h3-9,13-14,16,19,23H,10-12H2,1-2H3,(H,24,30)(H,25,27)(H,28,29)