[(Z)-2-[[4-azanyl-8-(butylamino)-7-methyl-5-oxidanyl-8-oxidanylidene-2-propan-2-yl-octanoyl]amino]-1-phenyl-2-pyridin-2-yl-ethenyl] hydrogen carbonate

Systemtic Name: [(Z)-2-[[4-azanyl-8-(butylamino)-7-methyl-5-oxidanyl-8-oxidanylidene-2-propan-2-yl-octanoyl]amino]-1-phenyl-2-pyridin-2-yl-ethenyl] hydrogen carbonate Openeye Name: [(Z)-2-[[4-amino-8-(butylamino)-5-hydroxy-2-isopropyl-7-methyl-8-oxo-octanoyl]amino]-1-phenyl-2-(2-pyridyl)vinyl] hydrogen carbonate CAS Name: carbonic acid [(Z)-2-[[4-amino-8-(butylamino)-5-hydroxy-7-methyl-1,8-dioxo-2-propan-2-yloctyl]amino]-1-phenyl-2-(2-pyridinyl)ethenyl] ester IUPAC Name: [(Z)-2-[[4-amino-8-(butylamino)-5-hydroxy-7-methyl-8-oxo-2-propan-2-yloctanoyl]amino]-1-phenyl-2-pyridin-2-ylethenyl] hydrogen carbonate Traditional Name: carbonic acid [(Z)-2-[[4-amino-8-(butylamino)-5-hydroxy-2-isopropyl-8-keto-7-methyl-octanoyl]amino]-1-phenyl-2-(2-pyridyl)vinyl] ester Formula: C30H42N4O6 MolecularWeight: 554.67768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(C(C)C)C(=O)NC(=C(C1=CC=CC=C1)OC(=O)O)C2=CC=CC=N2)N)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(C(C)C)C(=O)N/C(=C(/C1=CC=CC=C1)\OC(=O)O)/C2=CC=CC=N2)N)O

InChI

InChI=1S/C30H42N4O6/c1-5-6-15-33-28(36)20(4)17-25(35)23(31)18-22(19(2)3)29(37)34-26(24-14-10-11-16-32-24)27(40-30(38)39)21-12-8-7-9-13-21/h7-14,16,19-20,22-23,25,35H,5-6,15,17-18,31H2,1-4H3,(H,33,36)(H,34,37)(H,38,39)/b27-26-