(2R,3R,4S)-3-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenylmethoxy-propanoyl]oxy-2,4-dimethyl-octadecanoic acid

Systemtic Name: (2R,3R,4S)-3-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenylmethoxy-propanoyl]oxy-2,4-dimethyl-octadecanoic acid Openeye Name: (2R,3R,4S)-3-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-benzyloxy-propanoyl]oxy-2,4-dimethyl-octadecanoic acid CAS Name: (2R,3R,4S)-3-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxo-3-phenylmethoxypropoxy]-2,4-dimethyloctadecanoic acid IUPAC Name: (2R,3R,4S)-3-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylmethoxypropanoyl]oxy-2,4-dimethyloctadecanoic acid Traditional Name: (2R,3R,4S)-3-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-benzoxy-propanoyl]oxy-2,4-dimethyl-stearic acid Formula: C39H67N3O8 MolecularWeight: 705.96458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)C(C(C)C(=O)O)OC(=O)C(COCC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)C(C(C)C)N

Isomeric SMILES

CCCCCCCCCCCCCC[C@H](C)[C@H]([C@@H](C)C(=O)O)OC(=O)[C@H](COCC1=CC=CC=C1)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C39H67N3O8/c1-7-8-9-10-11-12-13-14-15-16-17-19-22-28(4)35(29(5)38(46)47)50-39(48)32(26-49-25-31-23-20-18-21-24-31)41-37(45)34(30(6)43)42-36(44)33(40)27(2)3/h18,20-21,23-24,27-30,32-35,43H,7-17,19,22,25-26,40H2,1-6H3,(H,41,45)(H,42,44)(H,46,47)/t28-,29+,30+,32-,33-,34-,35+/m0/s1