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

Systemtic Name: 2-[[5-azanyl-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[5-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-pentanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[5-amino-2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[5-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[5-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-keto-pentanoyl]amino]-3-methyl-valeric acid Formula: C22H31N5O5 MolecularWeight: 445.51204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O5/c1-3-12(2)19(22(31)32)27-21(30)17(8-9-18(24)28)26-20(29)15(23)10-13-11-25-16-7-5-4-6-14(13)16/h4-7,11-12,15,17,19,25H,3,8-10,23H2,1-2H3,(H2,24,28)(H,26,29)(H,27,30)(H,31,32)