methyl (2S)-6-azanyl-2-[[(2S)-6-azanyl-2-(2,2-dimethylhexadecanoylamino)hexanoyl]amino]hexanoate

Systemtic Name: methyl (2S)-6-azanyl-2-[[(2S)-6-azanyl-2-(2,2-dimethylhexadecanoylamino)hexanoyl]amino]hexanoate Openeye Name: methyl (2S)-6-amino-2-[[(2S)-6-amino-2-(2,2-dimethylhexadecanoylamino)hexanoyl]amino]hexanoate CAS Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[(2,2-dimethyl-1-oxohexadecyl)amino]-1-oxohexyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-amino-2-[[(2S)-6-amino-2-(2,2-dimethylhexadecanoylamino)hexanoyl]amino]hexanoate Traditional Name: (2S)-6-amino-2-[[(2S)-6-amino-2-(2,2-dimethylhexadecanoylamino)hexanoyl]amino]hexanoic acid methyl ester Formula: C31H62N4O4 MolecularWeight: 554.84838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)OC

InChI

InChI=1S/C31H62N4O4/c1-5-6-7-8-9-10-11-12-13-14-15-18-23-31(2,3)30(38)35-26(21-16-19-24-32)28(36)34-27(29(37)39-4)22-17-20-25-33/h26-27H,5-25,32-33H2,1-4H3,(H,34,36)(H,35,38)/t26-,27-/m0/s1