methyl (2S)-2-[2-(1-adamantylsulfanyl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(1-adamantylsulfanyl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(1-adamantylsulfanyl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(1-adamantylthio)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(1-adamantylsulfanyl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(1-adamantylthio)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO3S/c1-26-21(25)19(10-15-5-3-2-4-6-15)23-20(24)14-27-22-11-16-7-17(12-22)9-18(8-16)13-22/h2-6,16-19H,7-14H2,1H3,(H,23,24)/t16?,17?,18?,19-,22?/m0/s1