3-[[(E)-octadec-9-enoyl]amino]propyl 3-[(3,3-dimethyl-2-oxidanyl-4-phenylmethoxy-butanoyl)amino]propanoate

Systemtic Name: 3-[[(E)-octadec-9-enoyl]amino]propyl 3-[(3,3-dimethyl-2-oxidanyl-4-phenylmethoxy-butanoyl)amino]propanoate Openeye Name: 3-[[(E)-octadec-9-enoyl]amino]propyl 3-[(4-benzyloxy-2-hydroxy-3,3-dimethyl-butanoyl)amino]propanoate CAS Name: 3-[(2-hydroxy-3,3-dimethyl-1-oxo-4-phenylmethoxybutyl)amino]propanoic acid 3-[[(E)-1-oxooctadec-9-enyl]amino]propyl ester IUPAC Name: 3-[[(E)-octadec-9-enoyl]amino]propyl 3-[(2-hydroxy-3,3-dimethyl-4-phenylmethoxybutanoyl)amino]propanoate Traditional Name: 3-[(4-benzoxy-2-hydroxy-3,3-dimethyl-butanoyl)amino]propionic acid 3-[[(E)-octadec-9-enoyl]amino]propyl ester Formula: C37H62N2O6 MolecularWeight: 630.89798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCCCOC(=O)CCNC(=O)C(C(C)(C)COCC1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCCCOC(=O)CCNC(=O)C(C(C)(C)COCC1=CC=CC=C1)O

InChI

InChI=1S/C37H62N2O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-33(40)38-27-22-29-45-34(41)26-28-39-36(43)35(42)37(2,3)31-44-30-32-23-19-18-20-24-32/h11-12,18-20,23-24,35,42H,4-10,13-17,21-22,25-31H2,1-3H3,(H,38,40)(H,39,43)/b12-11+