tert-butyl N-[(2S)-3-naphthalen-2-yl-1-oxidanylidene-1-[[(3R,4S)-3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-naphthalen-2-yl-1-oxidanylidene-1-[[(3R,4S)-3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(3R,4S)-3-hydroxy-1-(2-pyridylsulfonyl)azepan-4-yl]amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(3R,4S)-3-hydroxy-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(3R,4S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(3R,4S)-3-hydroxy-1-(2-pyridylsulfonyl)azepan-4-yl]amino]-2-keto-1-(2-naphthylmethyl)ethyl]carbamic acid tert-butyl ester Formula: C29H36N4O6S MolecularWeight: 568.68434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC3CCCN(CC3O)S(=O)(=O)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@H]3CCCN(C[C@H]3O)S(=O)(=O)C4=CC=CC=N4

InChI

InChI=1S/C29H36N4O6S/c1-29(2,3)39-28(36)32-24(18-20-13-14-21-9-4-5-10-22(21)17-20)27(35)31-23-11-8-16-33(19-25(23)34)40(37,38)26-12-6-7-15-30-26/h4-7,9-10,12-15,17,23-25,34H,8,11,16,18-19H2,1-3H3,(H,31,35)(H,32,36)/t23-,24-,25+/m0/s1