methyl 6-[[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]ethanoylamino]-3-phenyl-propanoyl]amino]hexanoate

Systemtic Name: methyl 6-[[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]ethanoylamino]-3-phenyl-propanoyl]amino]hexanoate Openeye Name: methyl 6-[[2-[[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]acetyl]amino]-3-phenyl-propanoyl]amino]hexanoate CAS Name: 6-[[2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoate Traditional Name: 6-[[2-[[2-[[2-amino-4-(methylthio)butanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid methyl ester Formula: C23H36N4O5S MolecularWeight: 480.62074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(CCSC)N

Isomeric SMILES

COC(=O)CCCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(CCSC)N

InChI

InChI=1S/C23H36N4O5S/c1-32-21(29)11-7-4-8-13-25-23(31)19(15-17-9-5-3-6-10-17)27-20(28)16-26-22(30)18(24)12-14-33-2/h3,5-6,9-10,18-19H,4,7-8,11-16,24H2,1-2H3,(H,25,31)(H,26,30)(H,27,28)