3-(butylsulfonylamino)-2-[[2-chloranyl-4-(1-naphthalen-1-ylethylcarbamoyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-(butylsulfonylamino)-2-[[2-chloranyl-4-(1-naphthalen-1-ylethylcarbamoyl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-(butylsulfonylamino)-2-[[2-chloro-4-[1-(1-naphthyl)ethylcarbamoyl]benzoyl]amino]propanoic acid CAS Name: 3-(butylsulfonylamino)-2-[[[2-chloro-4-[[1-(1-naphthalenyl)ethylamino]-oxomethyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(butylsulfonylamino)-2-[[2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]propanoic acid Traditional Name: 3-(butylsulfonylamino)-2-[[2-chloro-4-[1-(1-naphthyl)ethylcarbamoyl]benzoyl]amino]propionic acid Formula: C27H30ClN3O6S MolecularWeight: 560.0616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C(=O)NC(C)C2=CC=CC3=CC=CC=C32)Cl

Isomeric SMILES

CCCCS(=O)(=O)NCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C(=O)NC(C)C2=CC=CC3=CC=CC=C32)Cl

InChI

InChI=1S/C27H30ClN3O6S/c1-3-4-14-38(36,37)29-16-24(27(34)35)31-26(33)22-13-12-19(15-23(22)28)25(32)30-17(2)20-11-7-9-18-8-5-6-10-21(18)20/h5-13,15,17,24,29H,3-4,14,16H2,1-2H3,(H,30,32)(H,31,33)(H,34,35)