calcium; (2S)-1-[(2S)-3-[(2R)-2-(cyclohexylcarbonylamino)propanoyl]sulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: calcium; (2S)-1-[(2S)-3-[(2R)-2-(cyclohexylcarbonylamino)propanoyl]sulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: calcium; (2S)-1-[(2S)-3-[(2R)-2-(cyclohexanecarbonylamino)propanoyl]sulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: calcium; (2S)-1-[(2S)-3-[[(2R)-2-[[cyclohexyl(oxo)methyl]amino]-1-oxopropyl]thio]-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: calcium; (2S)-1-[(2S)-3-[(2R)-2-(cyclohexanecarbonylamino)propanoyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: calcium; (2S)-1-[(2S)-3-[[(2R)-2-(cyclohexanecarbonylamino)propanoyl]thio]-2-methyl-propanoyl]proline Formula: C19H30CaN2O5S MolecularWeight: 438.5949

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C(C)NC(=O)C1CCCCC1)C(=O)N2CCCC2C(=O)O.[Ca]

Isomeric SMILES

C[C@H](CSC(=O)[C@@H](C)NC(=O)C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)O.[Ca]

InChI

InChI=1S/C19H30N2O5S.Ca/c1-12(17(23)21-10-6-9-15(21)18(24)25)11-27-19(26)13(2)20-16(22)14-7-4-3-5-8-14;/h12-15H,3-11H2,1-2H3,(H,20,22)(H,24,25);/t12-,13-,15+;/m1./s1