2-[(3S,7R)-7-methyl-2-oxidanylidene-3-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]azepan-1-yl]ethanoic acid

Systemtic Name: 2-[(3S,7R)-7-methyl-2-oxidanylidene-3-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]azepan-1-yl]ethanoic acid Openeye Name: 2-[(3S,7R)-7-methyl-2-oxo-3-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]azepan-1-yl]acetic acid CAS Name: 2-[(3S,7R)-3-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-7-methyl-2-oxo-1-azepanyl]acetic acid IUPAC Name: 2-[(3S,7R)-7-methyl-2-oxo-3-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]azepan-1-yl]acetic acid Traditional Name: 2-[(3S,7R)-2-keto-3-[[(2S)-2-mercapto-3-phenyl-propanoyl]amino]-7-methyl-azepan-1-yl]acetic acid Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C(=O)N1CC(=O)O)NC(=O)C(CC2=CC=CC=C2)S

Isomeric SMILES

C[C@@H]1CCC[C@@H](C(=O)N1CC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)S

InChI

InChI=1S/C18H24N2O4S/c1-12-6-5-9-14(18(24)20(12)11-16(21)22)19-17(23)15(25)10-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,23)(H,21,22)/t12-,14+,15+/m1/s1