methyl 2-[2-[(2-azanyl-3-methyl-pentyl)-(naphthalen-1-ylmethyl)amino]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[2-[(2-azanyl-3-methyl-pentyl)-(naphthalen-1-ylmethyl)amino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-[(2-amino-3-methyl-pentyl)-(1-naphthylmethyl)amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[(2-amino-3-methylpentyl)-(1-naphthalenylmethyl)amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-amino-3-methylpentyl)-(naphthalen-1-ylmethyl)amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[(2-amino-3-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O3S/c1-5-18(2)22(26)16-28(15-20-11-8-10-19-9-6-7-12-21(19)20)17-24(29)27-23(13-14-32-4)25(30)31-3/h6-12,18,22-23H,5,13-17,26H2,1-4H3,(H,27,29)