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

Systemtic Name: (3S,5S)-3,5-bis(azanyl)-4-oxidanylidene-5-(1-phenylethylcarbamoyl)heptanoic acid Openeye Name: (3S,5S)-3,5-diamino-4-oxo-5-(1-phenylethylcarbamoyl)heptanoic acid CAS Name: (3S,5S)-3,5-diamino-4-oxo-5-[oxo-(1-phenylethylamino)methyl]heptanoic acid IUPAC Name: (3S,5S)-3,5-diamino-4-oxo-5-(1-phenylethylcarbamoyl)heptanoic acid Traditional Name: (3S,5S)-3,5-diamino-4-keto-5-(1-phenylethylcarbamoyl)enanthic acid Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-3-16(18,14(22)12(17)9-13(20)21)15(23)19-10(2)11-7-5-4-6-8-11/h4-8,10,12H,3,9,17-18H2,1-2H3,(H,19,23)(H,20,21)/t10?,12-,16-/m0/s1