(phenylmethyl) 2-methyl-5-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-6-oxidanyl-azepane-1-carboxylate

Systemtic Name: (phenylmethyl) 2-methyl-5-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-6-oxidanyl-azepane-1-carboxylate Openeye Name: benzyl 5-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-6-hydroxy-2-methyl-azepane-1-carboxylate CAS Name: 6-hydroxy-2-methyl-5-[[(2S)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-1-azepanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-hydroxy-2-methyl-5-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]azepane-1-carboxylate Traditional Name: 5-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-6-hydroxy-2-methyl-azepane-1-carboxylic acid benzyl ester Formula: C26H41N3O6 MolecularWeight: 491.62024

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(CN1C(=O)OCC2=CC=CC=C2)O)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1CCC(C(CN1C(=O)OCC2=CC=CC=C2)O)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H41N3O6/c1-17(2)14-21(28-24(32)35-26(4,5)6)23(31)27-20-13-12-18(3)29(15-22(20)30)25(33)34-16-19-10-8-7-9-11-19/h7-11,17-18,20-22,30H,12-16H2,1-6H3,(H,27,31)(H,28,32)/t18?,20?,21-,22?/m0/s1