tert-butyl (2R,3S)-3-(methylcarbamoyl)-2-[[(2S)-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylmethoxy-pentan-2-yl]amino]-1,4-bis(oxidanylidene)-4-phenylmethoxy-butan-2-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (2R,3S)-3-(methylcarbamoyl)-2-[[(2S)-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylmethoxy-pentan-2-yl]amino]-1,4-bis(oxidanylidene)-4-phenylmethoxy-butan-2-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl (2R,3S)-2-[[(1S)-3-benzyloxy-1-[[(1S)-1-benzyloxycarbonyl-3-methyl-butyl]carbamoyl]-3-oxo-propyl]carbamoyl]-3-(methylcarbamoyl)piperidine-1-carboxylate CAS Name: (2R,3S)-3-(methylcarbamoyl)-2-[[[(2S)-1-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3S)-3-(methylcarbamoyl)-2-[[(2S)-1-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: (2R,3S)-2-[[(1S)-3-benzoxy-1-[[(1S)-1-carbobenzoxy-3-methyl-butyl]carbamoyl]-3-keto-propyl]carbamoyl]-3-(methylcarbamoyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C37H50N4O9 MolecularWeight: 694.8143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)C3C(CCCN3C(=O)OC(C)(C)C)C(=O)NC

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@H](CC(=O)OCC2=CC=CC=C2)NC(=O)[C@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C(=O)NC

InChI

InChI=1S/C37H50N4O9/c1-24(2)20-29(35(46)49-23-26-16-11-8-12-17-26)40-33(44)28(21-30(42)48-22-25-14-9-7-10-15-25)39-34(45)31-27(32(43)38-6)18-13-19-41(31)36(47)50-37(3,4)5/h7-12,14-17,24,27-29,31H,13,18-23H2,1-6H3,(H,38,43)(H,39,45)(H,40,44)/t27-,28-,29-,31+/m0/s1