(6S)-6-azanyl-8-(4-azanylcyclohexa-2,5-dien-1-yl)-7-methyl-6-(methylamino)-5-oxidanylidene-octanoic acid

Systemtic Name: (6S)-6-azanyl-8-(4-azanylcyclohexa-2,5-dien-1-yl)-7-methyl-6-(methylamino)-5-oxidanylidene-octanoic acid Openeye Name: (6S)-6-amino-8-(4-aminocyclohexa-2,5-dien-1-yl)-7-methyl-6-(methylamino)-5-oxo-octanoic acid CAS Name: (6S)-6-amino-8-(4-amino-1-cyclohexa-2,5-dienyl)-7-methyl-6-(methylamino)-5-oxooctanoic acid IUPAC Name: (6S)-6-amino-8-(4-aminocyclohexa-2,5-dien-1-yl)-7-methyl-6-(methylamino)-5-oxooctanoic acid Traditional Name: (6S)-6-amino-8-(4-aminocyclohexa-2,5-dien-1-yl)-5-keto-7-methyl-6-(methylamino)caprylic acid Formula: C16H27N3O3 MolecularWeight: 309.40388

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1C=CC(C=C1)N)C(C(=O)CCCC(=O)O)(N)NC

Isomeric SMILES

CC(CC1C=CC(C=C1)N)[C@](C(=O)CCCC(=O)O)(N)NC

InChI

InChI=1S/C16H27N3O3/c1-11(10-12-6-8-13(17)9-7-12)16(18,19-2)14(20)4-3-5-15(21)22/h6-9,11-13,19H,3-5,10,17-18H2,1-2H3,(H,21,22)/t11?,12?,13?,16-/m0/s1