N-[4-[[(E)-17-azanyl-16,18-bis(oxidanyl)octadec-14-enoyl]amino]-4-oxidanylidene-butyl]-2-methanoyl-benzamide

Systemtic Name: N-[4-[[(E)-17-azanyl-16,18-bis(oxidanyl)octadec-14-enoyl]amino]-4-oxidanylidene-butyl]-2-methanoyl-benzamide Openeye Name: N-[4-[[(E)-17-amino-16,18-dihydroxy-octadec-14-enoyl]amino]-4-oxo-butyl]-2-formyl-benzamide CAS Name: N-[4-[[(E)-17-amino-16,18-dihydroxy-1-oxooctadec-14-enyl]amino]-4-oxobutyl]-2-formylbenzamide IUPAC Name: N-[4-[[(E)-17-amino-16,18-dihydroxyoctadec-14-enoyl]amino]-4-oxobutyl]-2-formylbenzamide Traditional Name: N-[4-[[(E)-17-amino-16,18-dihydroxy-octadec-14-enoyl]amino]-4-keto-butyl]-2-formyl-benzamide Formula: C30H47N3O6 MolecularWeight: 545.71068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=O)C(=O)NCCCC(=O)NC(=O)CCCCCCCCCCCCC=CC(C(CO)N)O

Isomeric SMILES

C1=CC=C(C(=C1)C=O)C(=O)NCCCC(=O)NC(=O)CCCCCCCCCCCC/C=C/C(C(CO)N)O

InChI

InChI=1S/C30H47N3O6/c31-26(23-35)27(36)18-11-9-7-5-3-1-2-4-6-8-10-12-19-28(37)33-29(38)20-15-21-32-30(39)25-17-14-13-16-24(25)22-34/h11,13-14,16-18,22,26-27,35-36H,1-10,12,15,19-21,23,31H2,(H,32,39)(H,33,37,38)/b18-11+