(2S)-2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]-4-methyl-valeric acid Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C17H23ClN2O5S/c1-11(2)9-14(17(22)23)19-16(21)12-5-6-13(18)15(10-12)26(24,25)20-7-3-4-8-20/h5-6,10-11,14H,3-4,7-9H2,1-2H3,(H,19,21)(H,22,23)/t14-/m0/s1