(E,2S,3S)-N3-[(2S)-1-azanyl-3-[4-(3-methylbut-2-enoxy)phenyl]-1-oxidanylidene-propan-2-yl]-2-oxidanyl-12-oxidanylidene-nonadec-4-ene-1,2,3-tricarboxamide

Systemtic Name: (E,2S,3S)-N3-[(2S)-1-azanyl-3-[4-(3-methylbut-2-enoxy)phenyl]-1-oxidanylidene-propan-2-yl]-2-oxidanyl-12-oxidanylidene-nonadec-4-ene-1,2,3-tricarboxamide Openeye Name: (E,2S,3S)-N3-[(1S)-2-amino-1-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-2-oxo-ethyl]-2-hydroxy-12-oxo-nonadec-4-ene-1,2,3-tricarboxamide CAS Name: (E,2S,3S)-N3-[(2S)-1-amino-3-[4-(3-methylbut-2-enoxy)phenyl]-1-oxopropan-2-yl]-2-hydroxy-12-oxo-4-nonadecene-1,2,3-tricarboxamide IUPAC Name: (E,2S,3S)-3-N-[(2S)-1-amino-3-[4-(3-methylbut-2-enoxy)phenyl]-1-oxopropan-2-yl]-2-hydroxy-12-oxononadec-4-ene-1,2,3-tricarboxamide Traditional Name: (E,2S,3S)-N3-[(1S)-2-amino-2-keto-1-[4-(3-methylbut-2-enoxy)benzyl]ethyl]-2-hydroxy-12-keto-nonadec-4-ene-1,2,3-tricarboxamide Formula: C36H56N4O7 MolecularWeight: 656.85244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)CCCCCCC=CC(C(=O)NC(CC1=CC=C(C=C1)OCC=C(C)C)C(=O)N)C(CC(=O)N)(C(=O)N)O

Isomeric SMILES

CCCCCCCC(=O)CCCCCC/C=C/[C@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OCC=C(C)C)C(=O)N)[C@@](CC(=O)N)(C(=O)N)O

InChI

InChI=1S/C36H56N4O7/c1-4-5-6-9-12-15-28(41)16-13-10-7-8-11-14-17-30(36(46,35(39)45)25-32(37)42)34(44)40-31(33(38)43)24-27-18-20-29(21-19-27)47-23-22-26(2)3/h14,17-22,30-31,46H,4-13,15-16,23-25H2,1-3H3,(H2,37,42)(H2,38,43)(H2,39,45)(H,40,44)/b17-14+/t30-,31+,36+/m1/s1