(2S)-2-[[(2S)-5-azanyl-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-6-azanyl-2-(hexadecanoylamino)hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]pentanoyl]amino]-3-oxidanyl-propanoic acid; ethanoic acid

Systemtic Name: (2S)-2-[[(2S)-5-azanyl-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-6-azanyl-2-(hexadecanoylamino)hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]pentanoyl]amino]-3-oxidanyl-propanoic acid; ethanoic acid Openeye Name: acetic acid; (2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]pentanoyl]amino]-3-hydroxy-propanoic acid CAS Name: acetic acid; (2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-6-amino-1-oxo-2-(1-oxohexadecylamino)hexyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxopentyl]amino]-3-hydroxypropanoic acid IUPAC Name: acetic acid; (2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-hydroxypropanoic acid Traditional Name: acetic acid; (2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-palmitamido-hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]pentanoyl]amino]-3-hydroxy-propionic acid Formula: C42H81N7O14 MolecularWeight: 908.13104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(CCCN)C(=O)NC(CO)C(=O)O.CC(=O)O.CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CO)C(=O)O.CC(=O)O.CC(=O)O

InChI

InChI=1S/C38H73N7O10.2C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-31(49)41-28(20-17-18-23-39)35(51)44-33(27(3)48)37(53)45-32(26(2)47)36(52)42-29(21-19-24-40)34(50)43-30(25-46)38(54)55;2*1-2(3)4/h26-30,32-33,46-48H,4-25,39-40H2,1-3H3,(H,41,49)(H,42,52)(H,43,50)(H,44,51)(H,45,53)(H,54,55);2*1H3,(H,3,4)/t26-,27-,28+,29+,30+,32+,33+;;/m1../s1