2-[3-(4-methoxy-3-oxidanyl-phenyl)propylamino]-3-oxidanylidene-3-[[(2R)-3-oxidanyl-5-phenyl-heptan-2-yl]amino]propanoic acid

Systemtic Name: 2-[3-(4-methoxy-3-oxidanyl-phenyl)propylamino]-3-oxidanylidene-3-[[(2R)-3-oxidanyl-5-phenyl-heptan-2-yl]amino]propanoic acid Openeye Name: 2-[3-(3-hydroxy-4-methoxy-phenyl)propylamino]-3-[[(1R)-2-hydroxy-1-methyl-4-phenyl-hexyl]amino]-3-oxo-propanoic acid CAS Name: 2-[3-(3-hydroxy-4-methoxyphenyl)propylamino]-3-[[(2R)-3-hydroxy-5-phenylheptan-2-yl]amino]-3-oxopropanoic acid IUPAC Name: 2-[3-(3-hydroxy-4-methoxyphenyl)propylamino]-3-[[(2R)-3-hydroxy-5-phenylheptan-2-yl]amino]-3-oxopropanoic acid Traditional Name: 2-[3-(3-hydroxy-4-methoxy-phenyl)propylamino]-3-[[(1R)-2-hydroxy-1-methyl-4-phenyl-hexyl]amino]-3-keto-propionic acid Formula: C26H36N2O6 MolecularWeight: 472.57384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C(C)NC(=O)C(C(=O)O)NCCCC1=CC(=C(C=C1)OC)O)O)C2=CC=CC=C2

Isomeric SMILES

CCC(CC([C@@H](C)NC(=O)C(C(=O)O)NCCCC1=CC(=C(C=C1)OC)O)O)C2=CC=CC=C2

InChI

InChI=1S/C26H36N2O6/c1-4-19(20-10-6-5-7-11-20)16-21(29)17(2)28-25(31)24(26(32)33)27-14-8-9-18-12-13-23(34-3)22(30)15-18/h5-7,10-13,15,17,19,21,24,27,29-30H,4,8-9,14,16H2,1-3H3,(H,28,31)(H,32,33)/t17-,19?,21?,24?/m1/s1