2-azanyl-3-(2,2-dimethylpropanoyloxy)-2-(2-methyl-3-naphthalen-1-yl-propanoyl)-3-(2-oxidanylpropyl)-4-sulfonyl-hexanoic acid

Systemtic Name: 2-azanyl-3-(2,2-dimethylpropanoyloxy)-2-(2-methyl-3-naphthalen-1-yl-propanoyl)-3-(2-oxidanylpropyl)-4-sulfonyl-hexanoic acid Openeye Name: 2-amino-3-(2,2-dimethylpropanoyloxy)-3-(2-hydroxypropyl)-2-[2-methyl-3-(1-naphthyl)propanoyl]-4-sulfonyl-hexanoic acid CAS Name: 2-amino-3-(2,2-dimethyl-1-oxopropoxy)-3-(2-hydroxypropyl)-2-[2-methyl-3-(1-naphthalenyl)-1-oxopropyl]-4-sulfonylhexanoic acid IUPAC Name: 2-amino-3-(2,2-dimethylpropanoyloxy)-3-(2-hydroxypropyl)-2-(2-methyl-3-naphthalen-1-ylpropanoyl)-4-sulfonylhexanoic acid Traditional Name: 2-amino-3-(2-hydroxypropyl)-2-[2-methyl-3-(1-naphthyl)propanoyl]-3-pivaloyloxy-4-sulfonyl-hexanoic acid Formula: C28H37NO8S MolecularWeight: 547.66028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S(=O)=O)C(CC(C)O)(C(C(=O)C(C)CC1=CC=CC2=CC=CC=C21)(C(=O)O)N)OC(=O)C(C)(C)C

Isomeric SMILES

CCC(=S(=O)=O)C(CC(C)O)(C(C(=O)C(C)CC1=CC=CC2=CC=CC=C21)(C(=O)O)N)OC(=O)C(C)(C)C

InChI

InChI=1S/C28H37NO8S/c1-7-22(38(35)36)27(16-18(3)30,37-25(34)26(4,5)6)28(29,24(32)33)23(31)17(2)15-20-13-10-12-19-11-8-9-14-21(19)20/h8-14,17-18,30H,7,15-16,29H2,1-6H3,(H,32,33)