(3S)-2-[(3R)-3-(phenylmethoxycarbamoyl)octanoyl]-1-phenylmethoxycarbonyl-1,2-diazinane-3-carboxylic acid

Systemtic Name: (3S)-2-[(3R)-3-(phenylmethoxycarbamoyl)octanoyl]-1-phenylmethoxycarbonyl-1,2-diazinane-3-carboxylic acid Openeye Name: (3S)-2-[(3R)-3-(benzyloxycarbamoyl)octanoyl]-1-benzyloxycarbonyl-hexahydropyridazine-3-carboxylic acid CAS Name: (3S)-2-[(3R)-1-oxo-3-[oxo-(phenylmethoxyamino)methyl]octyl]-1-phenylmethoxycarbonyl-3-diazinanecarboxylic acid IUPAC Name: (3S)-2-[(3R)-3-(phenylmethoxycarbamoyl)octanoyl]-1-phenylmethoxycarbonyldiazinane-3-carboxylic acid Traditional Name: (3S)-2-[(3R)-3-(benzoxycarbamoyl)octanoyl]-1-carbobenzoxy-hexahydropyridazine-3-carboxylic acid Formula: C29H37N3O7 MolecularWeight: 539.61998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)N1C(CCCN1C(=O)OCC2=CC=CC=C2)C(=O)O)C(=O)NOCC3=CC=CC=C3

Isomeric SMILES

CCCCC[C@H](CC(=O)N1[C@@H](CCCN1C(=O)OCC2=CC=CC=C2)C(=O)O)C(=O)NOCC3=CC=CC=C3

InChI

InChI=1S/C29H37N3O7/c1-2-3-6-16-24(27(34)30-39-21-23-14-9-5-10-15-23)19-26(33)32-25(28(35)36)17-11-18-31(32)29(37)38-20-22-12-7-4-8-13-22/h4-5,7-10,12-15,24-25H,2-3,6,11,16-21H2,1H3,(H,30,34)(H,35,36)/t24-,25+/m1/s1