(4S)-4-azanyl-6-(4-azanylcyclohexa-2,5-dien-1-yl)-2-ethyl-5-methyl-4-(methylamino)-3-oxidanylidene-hexanoic acid

Systemtic Name: (4S)-4-azanyl-6-(4-azanylcyclohexa-2,5-dien-1-yl)-2-ethyl-5-methyl-4-(methylamino)-3-oxidanylidene-hexanoic acid Openeye Name: (4S)-4-amino-6-(4-aminocyclohexa-2,5-dien-1-yl)-2-ethyl-5-methyl-4-(methylamino)-3-oxo-hexanoic acid CAS Name: (4S)-4-amino-6-(4-amino-1-cyclohexa-2,5-dienyl)-2-ethyl-5-methyl-4-(methylamino)-3-oxohexanoic acid IUPAC Name: (4S)-4-amino-6-(4-aminocyclohexa-2,5-dien-1-yl)-2-ethyl-5-methyl-4-(methylamino)-3-oxohexanoic acid Traditional Name: (4S)-4-amino-6-(4-aminocyclohexa-2,5-dien-1-yl)-2-ethyl-3-keto-5-methyl-4-(methylamino)hexanoic acid Formula: C16H27N3O3 MolecularWeight: 309.40388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O3/c1-4-13(15(21)22)14(20)16(18,19-3)10(2)9-11-5-7-12(17)8-6-11/h5-8,10-13,19H,4,9,17-18H2,1-3H3,(H,21,22)/t10?,11?,12?,13?,16-/m0/s1