propan-2-yl (3S)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-3-carboxylate

Systemtic Name: propan-2-yl (3S)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-3-carboxylate Openeye Name: isopropyl (3S)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-3-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2S)-3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]nipecotic acid isopropyl ester Formula: C29H34N4O5S MolecularWeight: 550.66906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CCCN(C1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)OC(=O)[C@H]1CCCN(C1)C(=O)[C@H](CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H34N4O5S/c1-19(2)38-29(35)24-11-6-14-33(18-24)28(34)26(16-20-7-5-10-23(15-20)27(30)31)32-39(36,37)25-13-12-21-8-3-4-9-22(21)17-25/h3-5,7-10,12-13,15,17,19,24,26,32H,6,11,14,16,18H2,1-2H3,(H3,30,31)/t24-,26-/m0/s1