(2S)-3-[2-[(3R,5S)-3-(4-carbamimidoylphenyl)-2-methyl-1,2-oxazolidin-5-yl]ethanoylamino]-2-[(2-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: (2S)-3-[2-[(3R,5S)-3-(4-carbamimidoylphenyl)-2-methyl-1,2-oxazolidin-5-yl]ethanoylamino]-2-[(2-methylphenyl)sulfonylamino]propanoic acid Openeye Name: (2S)-3-[[2-[(3R,5S)-3-(4-carbamimidoylphenyl)-2-methyl-isoxazolidin-5-yl]acetyl]amino]-2-(o-tolylsulfonylamino)propanoic acid CAS Name: (2S)-3-[[2-[(3R,5S)-3-(4-carbamimidoylphenyl)-2-methyl-5-isoxazolidinyl]-1-oxoethyl]amino]-2-[(2-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: (2S)-3-[[2-[(3R,5S)-3-(4-carbamimidoylphenyl)-2-methyl-1,2-oxazolidin-5-yl]acetyl]amino]-2-[(2-methylphenyl)sulfonylamino]propanoic acid Traditional Name: (2S)-3-[[2-[(3R,5S)-3-(4-amidinophenyl)-2-methyl-isoxazolidin-5-yl]acetyl]amino]-2-(o-tolylsulfonylamino)propionic acid Formula: C23H29N5O6S MolecularWeight: 503.57126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CC2CC(N(O2)C)C3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N[C@@H](CNC(=O)C[C@@H]2C[C@@H](N(O2)C)C3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C23H29N5O6S/c1-14-5-3-4-6-20(14)35(32,33)27-18(23(30)31)13-26-21(29)12-17-11-19(28(2)34-17)15-7-9-16(10-8-15)22(24)25/h3-10,17-19,27H,11-13H2,1-2H3,(H3,24,25)(H,26,29)(H,30,31)/t17-,18-,19+/m0/s1