4-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-oxidanyl-azepane-1-carboxylic acid

Systemtic Name: 4-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-oxidanyl-azepane-1-carboxylic acid Openeye Name: 4-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-hydroxy-azepane-1-carboxylic acid CAS Name: 3-hydroxy-4-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-1-azepanecarboxylic acid IUPAC Name: 3-hydroxy-4-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]azepane-1-carboxylic acid Traditional Name: 4-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-hydroxy-azepane-1-carboxylic acid Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1O)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCN(CC1O)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H31N3O6/c1-14(2)11-17(23-20(27)30-13-15-7-4-3-5-8-15)19(26)22-16-9-6-10-24(21(28)29)12-18(16)25/h3-5,7-8,14,16-18,25H,6,9-13H2,1-2H3,(H,22,26)(H,23,27)(H,28,29)