4-[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]-1-naphthalen-2-ylsulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]-1-naphthalen-2-ylsulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]-1-(2-naphthylsulfonyl)piperazine-2-carboxylic acid CAS Name: 4-[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]-1-(2-naphthalenylsulfonyl)-2-piperazinecarboxylic acid IUPAC Name: 4-[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]-1-naphthalen-2-ylsulfonylpiperazine-2-carboxylic acid Traditional Name: 4-[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]-1-(2-naphthylsulfonyl)piperazine-2-carboxylic acid Formula: C29H33N3O7S MolecularWeight: 567.65322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C(=O)N1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O7S/c1-20(2)16-25(30-29(36)39-19-21-8-4-3-5-9-21)27(33)31-14-15-32(26(18-31)28(34)35)40(37,38)24-13-12-22-10-6-7-11-23(22)17-24/h3-13,17,20,25-26H,14-16,18-19H2,1-2H3,(H,30,36)(H,34,35)