methyl (2S)-2-[2-[3,6-bis(decanoylamino)hexanoylamino]ethanoylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[2-[3,6-bis(decanoylamino)hexanoylamino]ethanoylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[2-[3,6-bis(decanoylamino)hexanoylamino]acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-[[1-oxo-3,6-bis(1-oxodecylamino)hexyl]amino]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[3,6-bis(decanoylamino)hexanoylamino]acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[3,6-bis(caprylamino)hexanoylamino]acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C34H64N4O6 MolecularWeight: 624.89516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H64N4O6/c1-6-8-10-12-14-16-18-22-29(39)35-24-20-21-28(37-30(40)23-19-17-15-13-11-9-7-2)25-31(41)36-26-32(42)38-33(27(3)4)34(43)44-5/h27-28,33H,6-26H2,1-5H3,(H,35,39)(H,36,41)(H,37,40)(H,38,42)/t28?,33-/m0/s1