cyclohexanamine; (2S,3S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-methyl-pentanoic acid

Systemtic Name: cyclohexanamine; (2S,3S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-methyl-pentanoic acid Openeye Name: cyclohexanamine; (2S,3S)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-3-methyl-pentanoic acid CAS Name: cyclohexanamine; (2S,3S)-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-3-methylpentanoic acid IUPAC Name: cyclohexanamine; (2S,3S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-methylpentanoic acid Traditional Name: cyclohexylamine; (2S,3S)-3-methyl-2-(naphthionylamino)valeric acid Formula: C24H37N3O4S MolecularWeight: 463.63328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C.C1CCC(CC1)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C.C1CCC(CC1)N

InChI

InChI=1S/C18H24N2O4S.C6H13N/c1-5-12(2)17(18(21)22)19-25(23,24)16-11-7-8-13-14(16)9-6-10-15(13)20(3)4;7-6-4-2-1-3-5-6/h6-12,17,19H,5H2,1-4H3,(H,21,22);6H,1-5,7H2/t12-,17-;/m0./s1