[2-[(2S)-2-azanyl-3-methyl-butanoyl]oxy-3-pentadecyl-phenyl] (2S)-2-azanyl-3-methyl-butanoate

Systemtic Name: [2-[(2S)-2-azanyl-3-methyl-butanoyl]oxy-3-pentadecyl-phenyl] (2S)-2-azanyl-3-methyl-butanoate Openeye Name: [2-[(2S)-2-amino-3-methyl-butanoyl]oxy-3-pentadecyl-phenyl] (2S)-2-amino-3-methyl-butanoate CAS Name: (2S)-2-amino-3-methylbutanoic acid [2-[(2S)-2-amino-3-methyl-1-oxobutoxy]-3-pentadecylphenyl] ester IUPAC Name: [2-[(2S)-2-amino-3-methylbutanoyl]oxy-3-pentadecylphenyl] (2S)-2-amino-3-methylbutanoate Traditional Name: (2S)-2-amino-3-methyl-butyric acid [2-[(2S)-2-amino-3-methyl-butanoyl]oxy-3-pentadecyl-phenyl] ester Formula: C31H54N2O4 MolecularWeight: 518.77146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC(=O)C(C(C)C)N)OC(=O)C(C(C)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC(=O)[C@H](C(C)C)N)OC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C31H54N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-21-19-22-26(36-30(34)27(32)23(2)3)29(25)37-31(35)28(33)24(4)5/h19,21-24,27-28H,6-18,20,32-33H2,1-5H3/t27-,28-/m0/s1