(2S)-3-[[4-[4-(1H-imidazol-2-ylamino)-4-oxidanylidene-butyl]-4,5-dihydro-1,2-oxazol-3-yl]carbonylamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

Systemtic Name: (2S)-3-[[4-[4-(1H-imidazol-2-ylamino)-4-oxidanylidene-butyl]-4,5-dihydro-1,2-oxazol-3-yl]carbonylamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Openeye Name: (2S)-3-[[4-[4-(1H-imidazol-2-ylamino)-4-oxo-butyl]-4,5-dihydroisoxazole-3-carbonyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid CAS Name: (2S)-3-[[[4-[4-(1H-imidazol-2-ylamino)-4-oxobutyl]-4,5-dihydroisoxazol-3-yl]-oxomethyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid IUPAC Name: (2S)-3-[[4-[4-(1H-imidazol-2-ylamino)-4-oxobutyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Traditional Name: (2S)-3-[[4-[4-(1H-imidazol-2-ylamino)-4-keto-butyl]-2-isoxazoline-3-carbonyl]amino]-2-(mesitylsulfonylamino)propionic acid Formula: C23H30N6O7S MolecularWeight: 534.5853

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CNC(=O)C2=NOCC2CCCC(=O)NC3=NC=CN3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N[C@@H](CNC(=O)C2=NOCC2CCCC(=O)NC3=NC=CN3)C(=O)O)C

InChI

InChI=1S/C23H30N6O7S/c1-13-9-14(2)20(15(3)10-13)37(34,35)29-17(22(32)33)11-26-21(31)19-16(12-36-28-19)5-4-6-18(30)27-23-24-7-8-25-23/h7-10,16-17,29H,4-6,11-12H2,1-3H3,(H,26,31)(H,32,33)(H2,24,25,27,30)/t16?,17-/m0/s1