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

Systemtic Name: (3S)-3-[[(2R)-1-[3-(dimethylamino)propylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamoyl]dodecanoic acid Openeye Name: (3S)-3-[[(1R)-2-[3-(dimethylamino)propylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]dodecanoic acid CAS Name: (3S)-3-[[[(2R)-1-[3-(dimethylamino)propylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-oxomethyl]dodecanoic acid IUPAC Name: (3S)-3-[[(2R)-1-[3-(dimethylamino)propylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]dodecanoic acid Traditional Name: (3S)-3-[[(1R)-2-[3-(dimethylamino)propylamino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]lauric acid Formula: C27H45N3O5 MolecularWeight: 491.6633

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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)NCCCN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H45N3O5/c1-4-5-6-7-8-9-10-12-22(20-25(32)33)26(34)29-24(19-21-13-15-23(31)16-14-21)27(35)28-17-11-18-30(2)3/h13-16,22,24,31H,4-12,17-20H2,1-3H3,(H,28,35)(H,29,34)(H,32,33)/t22-,24+/m0/s1