(phenylmethyl) (4S)-4-[[(2S)-3-cyclohexyl-2-(furan-2-ylcarbonylamino)propanoyl]amino]-3-oxidanylidene-azepane-1-carboxylate

Systemtic Name: (phenylmethyl) (4S)-4-[[(2S)-3-cyclohexyl-2-(furan-2-ylcarbonylamino)propanoyl]amino]-3-oxidanylidene-azepane-1-carboxylate Openeye Name: benzyl (4S)-4-[[(2S)-3-cyclohexyl-2-(furan-2-carbonylamino)propanoyl]amino]-3-oxo-azepane-1-carboxylate CAS Name: (4S)-4-[[(2S)-3-cyclohexyl-2-[[2-furanyl(oxo)methyl]amino]-1-oxopropyl]amino]-3-oxo-1-azepanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-[[(2S)-3-cyclohexyl-2-(furan-2-carbonylamino)propanoyl]amino]-3-oxoazepane-1-carboxylate Traditional Name: (4S)-4-[[(2S)-3-cyclohexyl-2-(2-furoylamino)propanoyl]amino]-3-keto-azepane-1-carboxylic acid benzyl ester Formula: C28H35N3O6 MolecularWeight: 509.594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2CCCN(CC2=O)C(=O)OCC3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N[C@H]2CCCN(CC2=O)C(=O)OCC3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C28H35N3O6/c32-24-18-31(28(35)37-19-21-11-5-2-6-12-21)15-7-13-22(24)29-26(33)23(17-20-9-3-1-4-10-20)30-27(34)25-14-8-16-36-25/h2,5-6,8,11-12,14,16,20,22-23H,1,3-4,7,9-10,13,15,17-19H2,(H,29,33)(H,30,34)/t22-,23-/m0/s1