4-[[1-[4-azanyl-4-oxidanylidene-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]butanoyl]pyrrolidin-2-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1-[4-azanyl-4-oxidanylidene-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]butanoyl]pyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-[4-amino-4-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoyl]pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 4-[[[1-[4-amino-1,4-dioxo-2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]butyl]-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-[4-amino-4-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoyl]pyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 4-[[1-[4-amino-4-keto-2-(pyroglutamoylamino)butanoyl]prolyl]amino]benzoic acid Formula: C21H25N5O7 MolecularWeight: 459.4525

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC(=O)N)NC(=O)C2CCC(=O)N2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC(=O)N)NC(=O)C2CCC(=O)N2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H25N5O7/c22-16(27)10-14(25-18(29)13-7-8-17(28)24-13)20(31)26-9-1-2-15(26)19(30)23-12-5-3-11(4-6-12)21(32)33/h3-6,13-15H,1-2,7-10H2,(H2,22,27)(H,23,30)(H,24,28)(H,25,29)(H,32,33)