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

Systemtic Name: 2-[[4-azanyl-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C21H29N5O5 MolecularWeight: 431.48546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)N

InChI

InChI=1S/C21H29N5O5/c1-11(2)7-17(21(30)31)26-20(29)16(9-18(23)27)25-19(28)14(22)8-12-10-24-15-6-4-3-5-13(12)15/h3-6,10-11,14,16-17,24H,7-9,22H2,1-2H3,(H2,23,27)(H,25,28)(H,26,29)(H,30,31)