3-[8-(butoxycarbonylamino)-3-(3-dodecoxypropylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid

Systemtic Name: 3-[8-(butoxycarbonylamino)-3-(3-dodecoxypropylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid Openeye Name: 3-[[8-(butoxycarbonylamino)-3-(3-dodecoxypropylcarbamoyl)-4-hydroxy-1-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[8-[[butoxy(oxo)methyl]amino]-3-[(3-dodecoxypropylamino)-oxomethyl]-4-hydroxy-1-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[8-(butoxycarbonylamino)-3-(3-dodecoxypropylcarbamoyl)-4-hydroxynaphthalen-1-yl]sulfanylpropanoic acid Traditional Name: 3-[[8-(butoxycarbonylamino)-4-hydroxy-3-(3-lauryloxypropylcarbamoyl)-1-naphthyl]thio]propionic acid Formula: C34H52N2O7S MolecularWeight: 632.85088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCCNC(=O)C1=CC(=C2C(=C1O)C=CC=C2NC(=O)OCCCC)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOCCCNC(=O)C1=CC(=C2C(=C1O)C=CC=C2NC(=O)OCCCC)SCCC(=O)O

InChI

InChI=1S/C34H52N2O7S/c1-3-5-7-8-9-10-11-12-13-14-21-42-22-16-20-35-33(40)27-25-29(44-24-19-30(37)38)31-26(32(27)39)17-15-18-28(31)36-34(41)43-23-6-4-2/h15,17-18,25,39H,3-14,16,19-24H2,1-2H3,(H,35,40)(H,36,41)(H,37,38)