methyl (2S)-2-[[2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanylbenzoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[[2-[[2-(cyclooctylamino)-2-oxoethyl]thio]phenyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylbenzoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]benzoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CC=CC=C1SCC(=O)NC2CCCCCCC2

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1=CC=CC=C1SCC(=O)NC2CCCCCCC2

InChI

InChI=1S/C21H30N2O5S/c1-28-21(27)17(13-24)23-20(26)16-11-7-8-12-18(16)29-14-19(25)22-15-9-5-3-2-4-6-10-15/h7-8,11-12,15,17,24H,2-6,9-10,13-14H2,1H3,(H,22,25)(H,23,26)/t17-/m0/s1