2,5,9-tris(azanyl)-3-[2-[bis(azanyl)methylideneamino]ethyl]-4-oxidanylidene-2-pyrrolidin-2-ylcarbonyl-nonanoic acid

Systemtic Name: 2,5,9-tris(azanyl)-3-[2-[bis(azanyl)methylideneamino]ethyl]-4-oxidanylidene-2-pyrrolidin-2-ylcarbonyl-nonanoic acid Openeye Name: 2,5,9-triamino-3-(2-guanidinoethyl)-4-oxo-2-(pyrrolidine-2-carbonyl)nonanoic acid CAS Name: 2,5,9-triamino-3-[2-(diaminomethylideneamino)ethyl]-4-oxo-2-[oxo(2-pyrrolidinyl)methyl]nonanoic acid IUPAC Name: 2,5,9-triamino-3-[2-(diaminomethylideneamino)ethyl]-4-oxo-2-(pyrrolidine-2-carbonyl)nonanoic acid Traditional Name: 2,5,9-triamino-3-(2-guanidinoethyl)-4-keto-2-prolyl-pelargonic acid Formula: C17H33N7O4 MolecularWeight: 399.48842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)C(C(CCN=C(N)N)C(=O)C(CCCCN)N)(C(=O)O)N

Isomeric SMILES

C1CC(NC1)C(=O)C(C(CCN=C(N)N)C(=O)C(CCCCN)N)(C(=O)O)N

InChI

InChI=1S/C17H33N7O4/c18-7-2-1-4-11(19)13(25)10(6-9-24-16(20)21)17(22,15(27)28)14(26)12-5-3-8-23-12/h10-12,23H,1-9,18-19,22H2,(H,27,28)(H4,20,21,24)