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

Systemtic Name: [(Z)-2-[[4-azanyl-8-(butylamino)-7-methyl-5-oxidanyl-8-oxidanylidene-2-propan-2-yl-octanoyl]amino]-4-methoxy-1-phenyl-pent-1-enyl] hydrogen carbonate Openeye Name: [(Z)-2-[[4-amino-8-(butylamino)-5-hydroxy-2-isopropyl-7-methyl-8-oxo-octanoyl]amino]-4-methoxy-1-phenyl-pent-1-enyl] hydrogen carbonate CAS Name: carbonic acid [(Z)-2-[[4-amino-8-(butylamino)-5-hydroxy-7-methyl-1,8-dioxo-2-propan-2-yloctyl]amino]-4-methoxy-1-phenylpent-1-enyl] ester IUPAC Name: [(Z)-2-[[4-amino-8-(butylamino)-5-hydroxy-7-methyl-8-oxo-2-propan-2-yloctanoyl]amino]-4-methoxy-1-phenylpent-1-enyl] hydrogen carbonate Traditional Name: carbonic acid [(Z)-2-[[4-amino-8-(butylamino)-5-hydroxy-2-isopropyl-8-keto-7-methyl-octanoyl]amino]-4-methoxy-1-phenyl-pent-1-enyl] ester Formula: C29H47N3O7 MolecularWeight: 549.69938

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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)CC(C)OC)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)/CC(C)OC)N)O

InChI

InChI=1S/C29H47N3O7/c1-7-8-14-31-27(34)19(4)15-25(33)23(30)17-22(18(2)3)28(35)32-24(16-20(5)38-6)26(39-29(36)37)21-12-10-9-11-13-21/h9-13,18-20,22-23,25,33H,7-8,14-17,30H2,1-6H3,(H,31,34)(H,32,35)(H,36,37)/b26-24-