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

Systemtic Name: 1-[4-azanyl-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-amino-2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-keto-butanoyl]proline Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)N)C(=O)O

InChI

InChI=1S/C20H25N5O5/c21-13(8-11-10-23-14-5-2-1-4-12(11)14)18(27)24-15(9-17(22)26)19(28)25-7-3-6-16(25)20(29)30/h1-2,4-5,10,13,15-16,23H,3,6-9,21H2,(H2,22,26)(H,24,27)(H,29,30)