(2R)-2-[[2-(1-adamantylcarbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-(1-adamantylcarbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-(adamantane-1-carbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-[[1-adamantyl(oxo)methyl]amino]-4-mercapto-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-(adamantane-1-carbonylamino)-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-(adamantane-1-carbonylamino)-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C24H32N2O4S MolecularWeight: 444.58688

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(CCS)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(CCS)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H32N2O4S/c27-21(25-20(22(28)29)11-15-4-2-1-3-5-15)19(6-7-31)26-23(30)24-12-16-8-17(13-24)10-18(9-16)14-24/h1-5,16-20,31H,6-14H2,(H,25,27)(H,26,30)(H,28,29)/t16?,17?,18?,19?,20-,24?/m1/s1