1-[[[(2R,3S)-3-[[4-azanyl-4-oxidanylidene-2-(quinolin-2-ylcarbonylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-(3-methylbutyl)sulfamoyl]amino]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[[[(2R,3S)-3-[[4-azanyl-4-oxidanylidene-2-(quinolin-2-ylcarbonylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-(3-methylbutyl)sulfamoyl]amino]cyclopropane-1-carboxylic acid Openeye Name: 1-[[[(2R,3S)-3-[[4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-isopentyl-sulfamoyl]amino]cyclopropanecarboxylic acid CAS Name: 1-[[[(2R,3S)-3-[[4-amino-1,4-dioxo-2-[[oxo(2-quinolinyl)methyl]amino]butyl]amino]-2-hydroxy-4-phenylbutyl]-(3-methylbutyl)sulfamoyl]amino]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[[[(2R,3S)-3-[[4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]-(3-methylbutyl)sulfamoyl]amino]cyclopropane-1-carboxylic acid Traditional Name: 1-[[[(2R,3S)-3-[[4-amino-4-keto-2-(quinaldoylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-isoamyl-sulfamoyl]amino]cyclopropanecarboxylic acid Formula: C33H42N6O8S MolecularWeight: 682.78698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C2=NC3=CC=CC=C3C=C2)O)S(=O)(=O)NC4(CC4)C(=O)O

Isomeric SMILES

CC(C)CCN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C2=NC3=CC=CC=C3C=C2)O)S(=O)(=O)NC4(CC4)C(=O)O

InChI

InChI=1S/C33H42N6O8S/c1-21(2)14-17-39(48(46,47)38-33(15-16-33)32(44)45)20-28(40)26(18-22-8-4-3-5-9-22)36-31(43)27(19-29(34)41)37-30(42)25-13-12-23-10-6-7-11-24(23)35-25/h3-13,21,26-28,38,40H,14-20H2,1-2H3,(H2,34,41)(H,36,43)(H,37,42)(H,44,45)/t26-,27?,28+/m0/s1