1-[[(2S)-5-[(2-chloranylpyridin-3-yl)carbonylamino]-1-oxidanylidene-1-pyrrolidin-1-yl-pentan-2-yl]carbamoyloxy]ethyl ethanoate

Systemtic Name: 1-[[(2S)-5-[(2-chloranylpyridin-3-yl)carbonylamino]-1-oxidanylidene-1-pyrrolidin-1-yl-pentan-2-yl]carbamoyloxy]ethyl ethanoate Openeye Name: 1-[[(1S)-4-[(2-chloropyridine-3-carbonyl)amino]-1-(pyrrolidine-1-carbonyl)butyl]carbamoyloxy]ethyl acetate CAS Name: acetic acid 1-[[[(2S)-5-[[(2-chloro-3-pyridinyl)-oxomethyl]amino]-1-oxo-1-(1-pyrrolidinyl)pentan-2-yl]amino]-oxomethoxy]ethyl ester IUPAC Name: 1-[[(2S)-5-[(2-chloropyridine-3-carbonyl)amino]-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]carbamoyloxy]ethyl acetate Traditional Name: acetic acid 1-[[(1S)-4-[(2-chloronicotinoyl)amino]-1-(pyrrolidine-1-carbonyl)butyl]carbamoyloxy]ethyl ester Formula: C20H27ClN4O6 MolecularWeight: 454.90458

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C)OC(=O)NC(CCCNC(=O)C1=C(N=CC=C1)Cl)C(=O)N2CCCC2

Isomeric SMILES

CC(OC(=O)C)OC(=O)N[C@@H](CCCNC(=O)C1=C(N=CC=C1)Cl)C(=O)N2CCCC2

InChI

InChI=1S/C20H27ClN4O6/c1-13(26)30-14(2)31-20(29)24-16(19(28)25-11-3-4-12-25)8-6-10-23-18(27)15-7-5-9-22-17(15)21/h5,7,9,14,16H,3-4,6,8,10-12H2,1-2H3,(H,23,27)(H,24,29)/t14?,16-/m0/s1