2,5-bis(azanyl)-2-(2-azanyl-3-phenyl-propanoyl)-3-(hydroxymethyl)-6-methyl-4-oxidanylidene-octanoic acid

Systemtic Name: 2,5-bis(azanyl)-2-(2-azanyl-3-phenyl-propanoyl)-3-(hydroxymethyl)-6-methyl-4-oxidanylidene-octanoic acid Openeye Name: 2,5-diamino-2-(2-amino-3-phenyl-propanoyl)-3-(hydroxymethyl)-6-methyl-4-oxo-octanoic acid CAS Name: 2,5-diamino-2-(2-amino-1-oxo-3-phenylpropyl)-3-(hydroxymethyl)-6-methyl-4-oxooctanoic acid IUPAC Name: 2,5-diamino-2-(2-amino-3-phenylpropanoyl)-3-(hydroxymethyl)-6-methyl-4-oxooctanoic acid Traditional Name: 2,5-diamino-4-keto-6-methyl-3-methylol-2-phenylalanyl-caprylic acid Formula: C19H29N3O5 MolecularWeight: 379.45066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C(CO)C(C(=O)C(CC1=CC=CC=C1)N)(C(=O)O)N)N

Isomeric SMILES

CCC(C)C(C(=O)C(CO)C(C(=O)C(CC1=CC=CC=C1)N)(C(=O)O)N)N

InChI

InChI=1S/C19H29N3O5/c1-3-11(2)15(21)16(24)13(10-23)19(22,18(26)27)17(25)14(20)9-12-7-5-4-6-8-12/h4-8,11,13-15,23H,3,9-10,20-22H2,1-2H3,(H,26,27)