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

Systemtic Name: methyl 4-[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]-1-naphthalen-2-ylsulfonyl-piperazine-2-carboxylate Openeye Name: methyl 4-[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]-1-(2-naphthylsulfonyl)piperazine-2-carboxylate CAS Name: 4-[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]-1-(2-naphthalenylsulfonyl)-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]-1-naphthalen-2-ylsulfonylpiperazine-2-carboxylate Traditional Name: 4-[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]-1-(2-naphthylsulfonyl)piperazine-2-carboxylic acid methyl ester Formula: C30H35N3O7S MolecularWeight: 581.6798

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H35N3O7S/c1-21(2)17-26(31-30(36)40-20-22-9-5-4-6-10-22)28(34)32-15-16-33(27(19-32)29(35)39-3)41(37,38)25-14-13-23-11-7-8-12-24(23)18-25/h4-14,18,21,26-27H,15-17,19-20H2,1-3H3,(H,31,36)