3-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-5-(cyclohexylmethylamino)-4-oxidanylidene-pentane-1-sulfinic acid

Systemtic Name: 3-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-5-(cyclohexylmethylamino)-4-oxidanylidene-pentane-1-sulfinic acid Openeye Name: 3-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-5-(cyclohexylmethylamino)-4-oxo-pentane-1-sulfinic acid CAS Name: 3-[[2-[[2-benzofuranyl(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-5-(cyclohexylmethylamino)-4-oxo-1-pentanesulfinic acid IUPAC Name: 3-[[2-(1-benzofuran-2-carbonylamino)-4-methylpentanoyl]amino]-5-(cyclohexylmethylamino)-4-oxopentane-1-sulfinic acid Traditional Name: 3-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-5-(cyclohexylmethylamino)-4-keto-pentane-1-sulfinic acid Formula: C27H39N3O6S MolecularWeight: 533.68006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCS(=O)O)C(=O)CNCC1CCCCC1)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC(C)CC(C(=O)NC(CCS(=O)O)C(=O)CNCC1CCCCC1)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C27H39N3O6S/c1-18(2)14-22(30-27(33)25-15-20-10-6-7-11-24(20)36-25)26(32)29-21(12-13-37(34)35)23(31)17-28-16-19-8-4-3-5-9-19/h6-7,10-11,15,18-19,21-22,28H,3-5,8-9,12-14,16-17H2,1-2H3,(H,29,32)(H,30,33)(H,34,35)