methyl 2-[2-[(2-azanyl-4-methyl-pentyl)-(naphthalen-1-ylmethyl)amino]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[2-[(2-azanyl-4-methyl-pentyl)-(naphthalen-1-ylmethyl)amino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-[(2-amino-4-methyl-pentyl)-(1-naphthylmethyl)amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[(2-amino-4-methylpentyl)-(1-naphthalenylmethyl)amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-amino-4-methylpentyl)-(naphthalen-1-ylmethyl)amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[(2-amino-4-methyl-pentyl)-(1-naphthylmethyl)amino]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H37N3O3S MolecularWeight: 459.64458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CN(CC1=CC=CC2=CC=CC=C21)CC(=O)NC(CCSC)C(=O)OC)N

Isomeric SMILES

CC(C)CC(CN(CC1=CC=CC2=CC=CC=C21)CC(=O)NC(CCSC)C(=O)OC)N

InChI

InChI=1S/C25H37N3O3S/c1-18(2)14-21(26)16-28(15-20-10-7-9-19-8-5-6-11-22(19)20)17-24(29)27-23(12-13-32-4)25(30)31-3/h5-11,18,21,23H,12-17,26H2,1-4H3,(H,27,29)