(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[2-(dodecanoylamino)ethanoylamino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[2-(dodecanoylamino)ethanoylamino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-(dodecanoylamino)acetyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S)-3-hydroxy-2-[[(2S)-3-hydroxy-1-oxo-2-[[1-oxo-2-(1-oxododecylamino)ethyl]amino]propyl]amino]-1-oxopropyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-(dodecanoylamino)acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[2-(lauroylamino)acetyl]amino]propanoyl]amino]propanoyl]amino]hexanoic acid Formula: C26H49N5O8 MolecularWeight: 559.69596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCC(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C26H49N5O8/c1-2-3-4-5-6-7-8-9-10-14-22(34)28-16-23(35)29-20(17-32)24(36)31-21(18-33)25(37)30-19(26(38)39)13-11-12-15-27/h19-21,32-33H,2-18,27H2,1H3,(H,28,34)(H,29,35)(H,30,37)(H,31,36)(H,38,39)/t19-,20-,21-/m0/s1