3-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-4-oxidanylidene-5-[(phenylmethyl)amino]pentane-1-sulfinate

Systemtic Name: 3-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-4-oxidanylidene-5-[(phenylmethyl)amino]pentane-1-sulfinate Openeye Name: 3-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-5-(benzylamino)-4-oxo-pentane-1-sulfinate CAS Name: 3-[[2-[[2-benzofuranyl(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-4-oxo-5-[(phenylmethyl)amino]-1-pentanesulfinate IUPAC Name: 3-[[2-(1-benzofuran-2-carbonylamino)-4-methylpentanoyl]amino]-5-(benzylamino)-4-oxopentane-1-sulfinate Traditional Name: 3-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-5-(benzylamino)-4-keto-pentane-1-sulfinate Formula: C27H32N3O6S- MolecularWeight: 526.62448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCS(=O)[O-])C(=O)CNCC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC(C)CC(C(=O)NC(CCS(=O)[O-])C(=O)CNCC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C27H33N3O6S/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/h3-11,15,18,21-22,28H,12-14,16-17H2,1-2H3,(H,29,32)(H,30,33)(H,34,35)/p-1