[(3E)-hexa-3,5-dienyl] (3R)-1-[(2S)-2-[[(2S)-2-(hept-6-enoylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]piperidine-3-carboxylate

Systemtic Name: [(3E)-hexa-3,5-dienyl] (3R)-1-[(2S)-2-[[(2S)-2-(hept-6-enoylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]piperidine-3-carboxylate Openeye Name: [(3E)-hexa-3,5-dienyl] (3R)-1-[(2S)-2-[[(2S)-2-(hept-6-enoylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]piperidine-3-carboxylate CAS Name: (3R)-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-2-(1-oxohept-6-enylamino)butyl]amino]-1-oxo-3-phenylpropyl]-3-piperidinecarboxylic acid [(3E)-hexa-3,5-dienyl] ester IUPAC Name: [(3E)-hexa-3,5-dienyl] (3R)-1-[(2S)-2-[[(2S)-2-(hept-6-enoylamino)-3-methylbutanoyl]amino]-3-phenylpropanoyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[(2S)-2-[[(2S)-2-(hept-6-enoylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]nipecotic acid [(3E)-hexa-3,5-dienyl] ester Formula: C33H47N3O5 MolecularWeight: 565.74338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC(C2)C(=O)OCCC=CC=C)NC(=O)CCCCC=C

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H](C2)C(=O)OCC/C=C/C=C)NC(=O)CCCCC=C

InChI

InChI=1S/C33H47N3O5/c1-5-7-9-14-20-29(37)35-30(25(3)4)31(38)34-28(23-26-17-12-11-13-18-26)32(39)36-21-16-19-27(24-36)33(40)41-22-15-10-8-6-2/h5-6,8,10-13,17-18,25,27-28,30H,1-2,7,9,14-16,19-24H2,3-4H3,(H,34,38)(H,35,37)/b10-8+/t27-,28+,30+/m1/s1