2-[6-[(1-ethoxy-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl)amino]-5-oxidanylidene-3-(phenylmethyl)-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[6-[(1-ethoxy-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl)amino]-5-oxidanylidene-3-(phenylmethyl)-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[3-benzyl-6-[[2-ethoxy-1-(1-naphthylmethyl)-2-oxo-ethyl]amino]-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[[1-ethoxy-3-(1-naphthalenyl)-1-oxopropan-2-yl]amino]-5-oxo-3-(phenylmethyl)-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[3-benzyl-6-[(1-ethoxy-3-naphthalen-1-yl-1-oxopropan-2-yl)amino]-5-oxo-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[3-benzyl-6-[[2-ethoxy-2-keto-1-(1-naphthylmethyl)ethyl]amino]-5-keto-1,4-thiazepan-4-yl]acetic acid Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC2=CC=CC=C21)NC3CSCC(N(C3=O)CC(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC2=CC=CC=C21)NC3CSCC(N(C3=O)CC(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O5S/c1-2-36-29(35)25(16-22-13-8-12-21-11-6-7-14-24(21)22)30-26-19-37-18-23(15-20-9-4-3-5-10-20)31(28(26)34)17-27(32)33/h3-14,23,25-26,30H,2,15-19H2,1H3,(H,32,33)