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

Systemtic Name: (2S)-2-[[(2S)-5-azanyl-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-6-azanyl-2-(hexadecanoylamino)hexanoyl]-ethyl-amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]pentanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]-ethyl-amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]pentanoyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-6-amino-1-oxo-2-(1-oxohexadecylamino)hexyl]-ethylamino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxopentyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]-ethylamino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-palmitamido-hexanoyl]-ethyl-amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]pentanoyl]amino]-3-hydroxy-propionic acid Formula: C40H77N7O10 MolecularWeight: 816.08028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H77N7O10/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-24-33(51)43-31(22-19-20-25-41)39(55)47(6-2)35(29(4)50)38(54)46-34(28(3)49)37(53)44-30(23-21-26-42)36(52)45-32(27-48)40(56)57/h28-32,34-35,48-50H,5-27,41-42H2,1-4H3,(H,43,51)(H,44,53)(H,45,52)(H,46,54)(H,56,57)/t28-,29-,30+,31+,32+,34+,35+/m1/s1