(3S,5S)-3,5-bis(azanyl)-4-oxidanylidene-5-(1-phenylethylcarbamoyl)octanoic acid

Systemtic Name: (3S,5S)-3,5-bis(azanyl)-4-oxidanylidene-5-(1-phenylethylcarbamoyl)octanoic acid Openeye Name: (3S,5S)-3,5-diamino-4-oxo-5-(1-phenylethylcarbamoyl)octanoic acid CAS Name: (3S,5S)-3,5-diamino-4-oxo-5-[oxo-(1-phenylethylamino)methyl]octanoic acid IUPAC Name: (3S,5S)-3,5-diamino-4-oxo-5-(1-phenylethylcarbamoyl)octanoic acid Traditional Name: (3S,5S)-3,5-diamino-4-keto-5-(1-phenylethylcarbamoyl)caprylic acid Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(CC(=O)O)N)(C(=O)NC(C)C1=CC=CC=C1)N

Isomeric SMILES

CCC[C@](C(=O)[C@H](CC(=O)O)N)(C(=O)NC(C)C1=CC=CC=C1)N

InChI

InChI=1S/C17H25N3O4/c1-3-9-17(19,15(23)13(18)10-14(21)22)16(24)20-11(2)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,18-19H2,1-2H3,(H,20,24)(H,21,22)/t11?,13-,17-/m0/s1