(2R)-N'-[(5S)-6-azanyl-5-[2-(dodecanoylamino)ethanoylamino]-6-oxidanylidene-hexyl]-2-[[(2S)-2-azanylpropanoyl]amino]pentanediamide

Systemtic Name: (2R)-N'-[(5S)-6-azanyl-5-[2-(dodecanoylamino)ethanoylamino]-6-oxidanylidene-hexyl]-2-[[(2S)-2-azanylpropanoyl]amino]pentanediamide Openeye Name: (2R)-N'-[(5S)-6-amino-5-[[2-(dodecanoylamino)acetyl]amino]-6-oxo-hexyl]-2-[[(2S)-2-aminopropanoyl]amino]pentanediamide CAS Name: (2R)-N'-[(5S)-6-amino-6-oxo-5-[[1-oxo-2-(1-oxododecylamino)ethyl]amino]hexyl]-2-[[(2S)-2-amino-1-oxopropyl]amino]pentanediamide IUPAC Name: (2R)-N'-[(5S)-6-amino-5-[[2-(dodecanoylamino)acetyl]amino]-6-oxohexyl]-2-[[(2S)-2-aminopropanoyl]amino]pentanediamide Traditional Name: (2R)-N'-[(5S)-6-amino-6-keto-5-[[2-(lauroylamino)acetyl]amino]hexyl]-2-[[(2S)-2-aminopropanoyl]amino]glutaramide Formula: C28H53N7O6 MolecularWeight: 583.76372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCC(=O)NC(CCCCNC(=O)CCC(C(=O)N)NC(=O)C(C)N)C(=O)N

Isomeric SMILES

CCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CC[C@H](C(=O)N)NC(=O)[C@H](C)N)C(=O)N

InChI

InChI=1S/C28H53N7O6/c1-3-4-5-6-7-8-9-10-11-15-23(36)33-19-25(38)34-21(26(30)39)14-12-13-18-32-24(37)17-16-22(27(31)40)35-28(41)20(2)29/h20-22H,3-19,29H2,1-2H3,(H2,30,39)(H2,31,40)(H,32,37)(H,33,36)(H,34,38)(H,35,41)/t20-,21-,22+/m0/s1