methyl 1-[3-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-[(naphthalen-2-ylsulfonylamino)methyl]-3-oxidanylidene-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[3-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-[(naphthalen-2-ylsulfonylamino)methyl]-3-oxidanylidene-propanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[3-[(1-carbamimidoyl-3-piperidyl)methylamino]-2-[(2-naphthylsulfonylamino)methyl]-3-oxo-propanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[3-[(1-carbamimidoyl-3-piperidinyl)methylamino]-2-[(2-naphthalenylsulfonylamino)methyl]-1,3-dioxopropyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-[(naphthalen-2-ylsulfonylamino)methyl]-3-oxopropanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[3-[(1-amidino-3-piperidyl)methylamino]-3-keto-2-[(2-naphthylsulfonylamino)methyl]propanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C27H36N6O6S MolecularWeight: 572.67634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NCC4CCCN(C4)C(=N)N

Isomeric SMILES

COC(=O)C1CCCN1C(=O)C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NCC4CCCN(C4)C(=N)N

InChI

InChI=1S/C27H36N6O6S/c1-39-26(36)23-9-5-13-33(23)25(35)22(24(34)30-15-18-6-4-12-32(17-18)27(28)29)16-31-40(37,38)21-11-10-19-7-2-3-8-20(19)14-21/h2-3,7-8,10-11,14,18,22-23,31H,4-6,9,12-13,15-17H2,1H3,(H3,28,29)(H,30,34)