4-azanyl-2-[1-[3-(3-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidin-4-yl]carbonyl-butanoic acid

Systemtic Name: 4-azanyl-2-[1-[3-(3-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidin-4-yl]carbonyl-butanoic acid Openeye Name: 4-amino-2-[1-[3-(3-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperidine-4-carbonyl]butanoic acid CAS Name: 4-amino-2-[[1-[3-(3-cyanophenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-4-piperidinyl]-oxomethyl]butanoic acid IUPAC Name: 4-amino-2-[1-[3-(3-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carbonyl]butanoic acid Traditional Name: 4-amino-2-[1-[3-(3-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]isonipecotoyl]butyric acid Formula: C30H32N4O6S MolecularWeight: 576.66328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C(CCN)C(=O)O)C(=O)C(CC2=CC=CC(=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCC1C(=O)C(CCN)C(=O)O)C(=O)C(CC2=CC=CC(=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C30H32N4O6S/c31-13-10-26(30(37)38)28(35)23-11-14-34(15-12-23)29(36)27(17-20-4-3-5-21(16-20)19-32)33-41(39,40)25-9-8-22-6-1-2-7-24(22)18-25/h1-9,16,18,23,26-27,33H,10-15,17,31H2,(H,37,38)