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

Systemtic Name: 2-[[5-azanyl-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]butanedioic acid Openeye Name: 2-[[5-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-pentanoyl]amino]butanedioic acid CAS Name: 2-[[5-amino-2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]butanedioic acid IUPAC Name: 2-[[5-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]butanedioic acid Traditional Name: 2-[[5-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-keto-pentanoyl]amino]succinic acid Formula: C20H25N5O7 MolecularWeight: 447.4418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O7/c21-12(7-10-9-23-13-4-2-1-3-11(10)13)18(29)24-14(5-6-16(22)26)19(30)25-15(20(31)32)8-17(27)28/h1-4,9,12,14-15,23H,5-8,21H2,(H2,22,26)(H,24,29)(H,25,30)(H,27,28)(H,31,32)