2-[(1-naphthalen-1-ylsulfonylpyrrolidin-2-yl)carbonylamino]-3-[(phenylmethyl)carbamoylamino]propanoic acid

Systemtic Name: 2-[(1-naphthalen-1-ylsulfonylpyrrolidin-2-yl)carbonylamino]-3-[(phenylmethyl)carbamoylamino]propanoic acid Openeye Name: 3-(benzylcarbamoylamino)-2-[[1-(1-naphthylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 2-[[[1-(1-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propanoic acid IUPAC Name: 3-(benzylcarbamoylamino)-2-[(1-naphthalen-1-ylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-(benzylcarbamoylamino)-2-[[1-(1-naphthylsulfonyl)prolyl]amino]propionic acid Formula: C26H28N4O6S MolecularWeight: 524.58872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC3=CC=CC=C32)C(=O)NC(CNC(=O)NCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC3=CC=CC=C32)C(=O)NC(CNC(=O)NCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H28N4O6S/c31-24(29-21(25(32)33)17-28-26(34)27-16-18-8-2-1-3-9-18)22-13-7-15-30(22)37(35,36)23-14-6-11-19-10-4-5-12-20(19)23/h1-6,8-12,14,21-22H,7,13,15-17H2,(H,29,31)(H,32,33)(H2,27,28,34)