methyl 4-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperazine-1-carboxylate Openeye Name: methyl 4-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperazine-1-carboxylic acid methyl ester Formula: C26H29N5O5S MolecularWeight: 523.60396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H29N5O5S/c1-36-26(33)31-13-11-30(12-14-31)25(32)23(16-18-5-4-8-21(15-18)24(27)28)29-37(34,35)22-10-9-19-6-2-3-7-20(19)17-22/h2-10,15,17,23,29H,11-14,16H2,1H3,(H3,27,28)/t23-/m0/s1