(2S)-4-methylsulfanyl-2-[[2-phenyl-4-[(5-phenylfuran-2-yl)methoxymethyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[[2-phenyl-4-[(5-phenylfuran-2-yl)methoxymethyl]phenyl]carbonylamino]butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-[[2-phenyl-4-[(5-phenyl-2-furyl)methoxymethyl]benzoyl]amino]butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[oxo-[2-phenyl-4-[(5-phenyl-2-furanyl)methoxymethyl]phenyl]methyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[[2-phenyl-4-[(5-phenylfuran-2-yl)methoxymethyl]benzoyl]amino]butanoic acid Traditional Name: (2S)-4-(methylthio)-2-[[2-phenyl-4-[(5-phenyl-2-furyl)methoxymethyl]benzoyl]amino]butyric acid Formula: C30H29NO5S MolecularWeight: 515.61996

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)COCC2=CC=C(O2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1=C(C=C(C=C1)COCC2=CC=C(O2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H29NO5S/c1-37-17-16-27(30(33)34)31-29(32)25-14-12-21(18-26(25)22-8-4-2-5-9-22)19-35-20-24-13-15-28(36-24)23-10-6-3-7-11-23/h2-15,18,27H,16-17,19-20H2,1H3,(H,31,32)(H,33,34)/t27-/m0/s1