methyl (2R)-2-[2-(1-adamantylsulfanyl)ethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[2-(1-adamantylsulfanyl)ethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[[2-(1-adamantylsulfanyl)acetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[2-(1-adamantylthio)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(1-adamantylsulfanyl)acetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[2-(1-adamantylthio)acetyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N2O3S/c1-29-23(28)21(9-18-13-25-20-5-3-2-4-19(18)20)26-22(27)14-30-24-10-15-6-16(11-24)8-17(7-15)12-24/h2-5,13,15-17,21,25H,6-12,14H2,1H3,(H,26,27)/t15?,16?,17?,21-,24?/m1/s1