(2S)-2-[(2-chloranylpyridin-3-yl)carbonylamino]-3-(1-methylsulfonylindol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[(2-chloranylpyridin-3-yl)carbonylamino]-3-(1-methylsulfonylindol-3-yl)propanoic acid Openeye Name: (2S)-2-[(2-chloropyridine-3-carbonyl)amino]-3-(1-methylsulfonylindol-3-yl)propanoic acid CAS Name: (2S)-2-[[(2-chloro-3-pyridinyl)-oxomethyl]amino]-3-(1-methylsulfonyl-3-indolyl)propanoic acid IUPAC Name: (2S)-2-[(2-chloropyridine-3-carbonyl)amino]-3-(1-methylsulfonylindol-3-yl)propanoic acid Traditional Name: (2S)-2-[(2-chloronicotinoyl)amino]-3-(1-mesylindol-3-yl)propionic acid Formula: C18H16ClN3O5S MolecularWeight: 421.85474

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)O)NC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)NC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C18H16ClN3O5S/c1-28(26,27)22-10-11(12-5-2-3-7-15(12)22)9-14(18(24)25)21-17(23)13-6-4-8-20-16(13)19/h2-8,10,14H,9H2,1H3,(H,21,23)(H,24,25)/t14-/m0/s1