3-[[2-[(2-dodecanoyloxy-3-methyl-1-phosphono-butyl)amino]-3-(4-phenylphenyl)propanoyl]amino]propanoate

Systemtic Name: 3-[[2-[(2-dodecanoyloxy-3-methyl-1-phosphono-butyl)amino]-3-(4-phenylphenyl)propanoyl]amino]propanoate Openeye Name: 3-[[2-[(2-dodecanoyloxy-3-methyl-1-phosphono-butyl)amino]-3-(4-phenylphenyl)propanoyl]amino]propanoate CAS Name: 3-[[2-[[3-methyl-2-(1-oxododecoxy)-1-phosphonobutyl]amino]-1-oxo-3-(4-phenylphenyl)propyl]amino]propanoate IUPAC Name: 3-[[2-[(2-dodecanoyloxy-3-methyl-1-phosphonobutyl)amino]-3-(4-phenylphenyl)propanoyl]amino]propanoate Traditional Name: 3-[[2-[(2-lauroyloxy-3-methyl-1-phosphono-butyl)amino]-3-(4-phenylphenyl)propanoyl]amino]propionate Formula: C35H52N2O8P- MolecularWeight: 659.769741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC(C(C)C)C(NC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)NCCC(=O)[O-])P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)OC(C(C)C)C(NC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)NCCC(=O)[O-])P(=O)(O)O

InChI

InChI=1S/C35H53N2O8P/c1-4-5-6-7-8-9-10-11-15-18-32(40)45-33(26(2)3)35(46(42,43)44)37-30(34(41)36-24-23-31(38)39)25-27-19-21-29(22-20-27)28-16-13-12-14-17-28/h12-14,16-17,19-22,26,30,33,35,37H,4-11,15,18,23-25H2,1-3H3,(H,36,41)(H,38,39)(H2,42,43,44)/p-1