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

Systemtic Name: (2R)-2-[[2-(cyclohexylcarbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-(cyclohexanecarbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-[[cyclohexyl(oxo)methyl]amino]-4-mercapto-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-(cyclohexanecarbonylamino)-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-(cyclohexanecarbonylamino)-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(CCS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)NC(CCS)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H28N2O4S/c23-18(15-9-5-2-6-10-15)21-16(11-12-27)19(24)22-17(20(25)26)13-14-7-3-1-4-8-14/h1,3-4,7-8,15-17,27H,2,5-6,9-13H2,(H,21,23)(H,22,24)(H,25,26)/t16?,17-/m1/s1