5-[[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-[(2-azanyl-4-methyl-pentanoyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-[(2-azanyl-4-methyl-pentanoyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-[(2-amino-4-methyl-pentanoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[(2-amino-4-methyl-1-oxopentyl)amino]-5-oxopentanoic acid IUPAC Name: 5-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoic acid Traditional Name: 5-[[2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-[(2-amino-4-methyl-pentanoyl)amino]-5-keto-valeric acid Formula: C22H31N5O5 MolecularWeight: 445.51204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O5/c1-12(2)9-15(23)21(31)26-17(7-8-19(28)29)22(32)27-18(20(24)30)10-13-11-25-16-6-4-3-5-14(13)16/h3-6,11-12,15,17-18,25H,7-10,23H2,1-2H3,(H2,24,30)(H,26,31)(H,27,32)(H,28,29)