5-[bis(azanyl)methylideneamino]-2-[[1-(3,4-dihydro-1H-isochromen-1-ylcarbonyl)pyrrolidin-2-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[[1-(3,4-dihydro-1H-isochromen-1-ylcarbonyl)pyrrolidin-2-yl]carbonylamino]pentanoic acid Openeye Name: 5-guanidino-2-[[1-(isochromane-1-carbonyl)pyrrolidine-2-carbonyl]amino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[[1-[3,4-dihydro-1H-2-benzopyran-1-yl(oxo)methyl]-2-pyrrolidinyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[[1-(3,4-dihydro-1H-isochromene-1-carbonyl)pyrrolidine-2-carbonyl]amino]pentanoic acid Traditional Name: 5-guanidino-2-[[1-(isochroman-1-carbonyl)prolyl]amino]valeric acid Formula: C21H29N5O5 MolecularWeight: 431.48546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2C3=CC=CC=C3CCO2)C(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2C3=CC=CC=C3CCO2)C(=O)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C21H29N5O5/c22-21(23)24-10-3-7-15(20(29)30)25-18(27)16-8-4-11-26(16)19(28)17-14-6-2-1-5-13(14)9-12-31-17/h1-2,5-6,15-17H,3-4,7-12H2,(H,25,27)(H,29,30)(H4,22,23,24)