(phenylmethyl) 3-[(2S)-2-[[(2R)-2-azanyl-4-methyl-pentanoyl]amino]propanoyl]oxytetradecanoate

Systemtic Name: (phenylmethyl) 3-[(2S)-2-[[(2R)-2-azanyl-4-methyl-pentanoyl]amino]propanoyl]oxytetradecanoate Openeye Name: benzyl 3-[(2S)-2-[[(2R)-2-amino-4-methyl-pentanoyl]amino]propanoyl]oxytetradecanoate CAS Name: 3-[(2S)-2-[[(2R)-2-amino-4-methyl-1-oxopentyl]amino]-1-oxopropoxy]tetradecanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]propanoyl]oxytetradecanoate Traditional Name: 3-[(2S)-2-[[(2R)-2-amino-4-methyl-pentanoyl]amino]propanoyl]oxymyristic acid benzyl ester Formula: C30H50N2O5 MolecularWeight: 518.7284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)OCC1=CC=CC=C1)OC(=O)C(C)NC(=O)C(CC(C)C)N

Isomeric SMILES

CCCCCCCCCCCC(CC(=O)OCC1=CC=CC=C1)OC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)N

InChI

InChI=1S/C30H50N2O5/c1-5-6-7-8-9-10-11-12-16-19-26(21-28(33)36-22-25-17-14-13-15-18-25)37-30(35)24(4)32-29(34)27(31)20-23(2)3/h13-15,17-18,23-24,26-27H,5-12,16,19-22,31H2,1-4H3,(H,32,34)/t24-,26?,27+/m0/s1