6-azanyl-2-[[4-azanyl-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[4-azanyl-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxo-butanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-keto-butanoyl]amino]hexanoic acid Formula: C21H30N6O5 MolecularWeight: 446.5001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC(=O)N)C(=O)NC(CCCCN)C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC(=O)N)C(=O)NC(CCCCN)C(=O)O)N

InChI

InChI=1S/C21H30N6O5/c22-8-4-3-7-16(21(31)32)26-20(30)17(10-18(24)28)27-19(29)14(23)9-12-11-25-15-6-2-1-5-13(12)15/h1-2,5-6,11,14,16-17,25H,3-4,7-10,22-23H2,(H2,24,28)(H,26,30)(H,27,29)(H,31,32)