(3S)-3-[[(2R)-3-(4-hydroxyphenyl)-1-(3-morpholin-4-ylpropylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]dodecanoic acid

Systemtic Name: (3S)-3-[[(2R)-3-(4-hydroxyphenyl)-1-(3-morpholin-4-ylpropylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]dodecanoic acid Openeye Name: (3S)-3-[[(1R)-1-[(4-hydroxyphenyl)methyl]-2-(3-morpholinopropylamino)-2-oxo-ethyl]carbamoyl]dodecanoic acid CAS Name: (3S)-3-[[[(2R)-3-(4-hydroxyphenyl)-1-[3-(4-morpholinyl)propylamino]-1-oxopropan-2-yl]amino]-oxomethyl]dodecanoic acid IUPAC Name: (3S)-3-[[(2R)-3-(4-hydroxyphenyl)-1-(3-morpholin-4-ylpropylamino)-1-oxopropan-2-yl]carbamoyl]dodecanoic acid Traditional Name: (3S)-3-[[(1R)-1-(4-hydroxybenzyl)-2-keto-2-(3-morpholinopropylamino)ethyl]carbamoyl]lauric acid Formula: C29H47N3O6 MolecularWeight: 533.69998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCN2CCOCC2

Isomeric SMILES

CCCCCCCCC[C@@H](CC(=O)O)C(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)NCCCN2CCOCC2

InChI

InChI=1S/C29H47N3O6/c1-2-3-4-5-6-7-8-10-24(22-27(34)35)28(36)31-26(21-23-11-13-25(33)14-12-23)29(37)30-15-9-16-32-17-19-38-20-18-32/h11-14,24,26,33H,2-10,15-22H2,1H3,(H,30,37)(H,31,36)(H,34,35)/t24-,26+/m0/s1