2-[(2R)-2-[[(2S)-8-azanyl-1-ethoxy-1-oxidanylidene-octan-2-yl]amino]-5-oxidanylidene-2-phenyl-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[(2R)-2-[[(2S)-8-azanyl-1-ethoxy-1-oxidanylidene-octan-2-yl]amino]-5-oxidanylidene-2-phenyl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[(2R)-2-[[(1S)-7-amino-1-ethoxycarbonyl-heptyl]amino]-5-oxo-2-phenyl-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[(2R)-2-[[(2S)-8-amino-1-ethoxy-1-oxooctan-2-yl]amino]-5-oxo-2-phenyl-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[(2R)-2-[[(2S)-8-amino-1-ethoxy-1-oxooctan-2-yl]amino]-5-oxo-2-phenyl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[(2R)-2-[[(1S)-7-amino-1-carbethoxy-heptyl]amino]-5-keto-2-phenyl-1,4-thiazepan-4-yl]acetic acid Formula: C23H35N3O5S MolecularWeight: 465.6061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCN)NC1(CN(C(=O)CCS1)CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H](CCCCCCN)N[C@]1(CN(C(=O)CCS1)CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C23H35N3O5S/c1-2-31-22(30)19(12-8-3-4-9-14-24)25-23(18-10-6-5-7-11-18)17-26(16-21(28)29)20(27)13-15-32-23/h5-7,10-11,19,25H,2-4,8-9,12-17,24H2,1H3,(H,28,29)/t19-,23-/m0/s1