(3S)-3-[(5-chloranyl-6-methoxy-naphthalen-2-yl)sulfonylamino]-4-oxidanylidene-4-(phenethylamino)butanoic acid

Systemtic Name: (3S)-3-[(5-chloranyl-6-methoxy-naphthalen-2-yl)sulfonylamino]-4-oxidanylidene-4-(phenethylamino)butanoic acid Openeye Name: (3S)-3-[(5-chloro-6-methoxy-2-naphthyl)sulfonylamino]-4-oxo-4-(phenethylamino)butanoic acid CAS Name: (3S)-3-[(5-chloro-6-methoxy-2-naphthalenyl)sulfonylamino]-4-oxo-4-(phenethylamino)butanoic acid IUPAC Name: (3S)-3-[(5-chloro-6-methoxynaphthalen-2-yl)sulfonylamino]-4-oxo-4-(phenethylamino)butanoic acid Traditional Name: (3S)-3-[(5-chloro-6-methoxy-2-naphthyl)sulfonylamino]-4-keto-4-(phenethylamino)butyric acid Formula: C23H23ClN2O6S MolecularWeight: 490.95652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=C(C=C2)S(=O)(=O)NC(CC(=O)O)C(=O)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(C=C2)S(=O)(=O)N[C@@H](CC(=O)O)C(=O)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H23ClN2O6S/c1-32-20-10-7-16-13-17(8-9-18(16)22(20)24)33(30,31)26-19(14-21(27)28)23(29)25-12-11-15-5-3-2-4-6-15/h2-10,13,19,26H,11-12,14H2,1H3,(H,25,29)(H,27,28)/t19-/m0/s1