methyl (2S)-2-[[(2S)-2,5-bis(decanoylamino)pentanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2,5-bis(decanoylamino)pentanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S)-2,5-bis(decanoylamino)pentanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[(2S)-1-oxo-2,5-bis(1-oxodecylamino)pentyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2,5-bis(decanoylamino)pentanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2,5-bis(caprylamino)pentanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C32H61N3O5 MolecularWeight: 567.84384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NCCCC(C(=O)NC(CC(C)C)C(=O)OC)NC(=O)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC(=O)NCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)NC(=O)CCCCCCCCC

InChI

InChI=1S/C32H61N3O5/c1-6-8-10-12-14-16-18-22-29(36)33-24-20-21-27(31(38)35-28(25-26(3)4)32(39)40-5)34-30(37)23-19-17-15-13-11-9-7-2/h26-28H,6-25H2,1-5H3,(H,33,36)(H,34,37)(H,35,38)/t27-,28-/m0/s1