hexadecyl (2S)-2-[[(2S)-2,3-bis(azanyl)propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: hexadecyl (2S)-2-[[(2S)-2,3-bis(azanyl)propanoyl]amino]-4-methyl-pentanoate Openeye Name: hexadecyl (2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2,3-diamino-1-oxopropyl]amino]-4-methylpentanoic acid hexadecyl ester IUPAC Name: hexadecyl (2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]-4-methyl-valeric acid cetyl ester Formula: C25H51N3O3 MolecularWeight: 441.69074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CC(C)C)NC(=O)C(CN)N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](CN)N

InChI

InChI=1S/C25H51N3O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-25(30)23(19-21(2)3)28-24(29)22(27)20-26/h21-23H,4-20,26-27H2,1-3H3,(H,28,29)/t22-,23-/m0/s1