(2S)-3-methyl-2-[[4-[4-[(3-methyl-4-morpholin-4-yl-1-benzofuran-2-yl)carbonylamino]phenyl]phenyl]sulfonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[4-[4-[(3-methyl-4-morpholin-4-yl-1-benzofuran-2-yl)carbonylamino]phenyl]phenyl]sulfonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[4-[4-[(3-methyl-4-morpholino-benzofuran-2-carbonyl)amino]phenyl]phenyl]sulfonylamino]butanoic acid CAS Name: (2S)-3-methyl-2-[[4-[4-[[[3-methyl-4-(4-morpholinyl)-2-benzofuranyl]-oxomethyl]amino]phenyl]phenyl]sulfonylamino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[4-[4-[(3-methyl-4-morpholin-4-yl-1-benzofuran-2-carbonyl)amino]phenyl]phenyl]sulfonylamino]butanoic acid Traditional Name: (2S)-3-methyl-2-[[4-[4-[(3-methyl-4-morpholino-benzofuran-2-carbonyl)amino]phenyl]phenyl]sulfonylamino]butyric acid Formula: C31H33N3O7S MolecularWeight: 591.67462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC(=C12)N3CCOCC3)C(=O)NC4=CC=C(C=C4)C5=CC=C(C=C5)S(=O)(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=C(OC2=CC=CC(=C12)N3CCOCC3)C(=O)NC4=CC=C(C=C4)C5=CC=C(C=C5)S(=O)(=O)N[C@@H](C(C)C)C(=O)O

InChI

InChI=1S/C31H33N3O7S/c1-19(2)28(31(36)37)33-42(38,39)24-13-9-22(10-14-24)21-7-11-23(12-8-21)32-30(35)29-20(3)27-25(5-4-6-26(27)41-29)34-15-17-40-18-16-34/h4-14,19,28,33H,15-18H2,1-3H3,(H,32,35)(H,36,37)/t28-/m0/s1