2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]-3-hydroxy-propanoic acid CAS Name: 2-[[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[4-chloro-1-(diaminomethylideneamino)isoquinoline-7-carbonyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]-3-hydroxy-propionic acid Formula: C14H14ClN5O4 MolecularWeight: 351.74506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC(CO)C(=O)O)C(=NC=C2Cl)N=C(N)N

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NC(CO)C(=O)O)C(=NC=C2Cl)N=C(N)N

InChI

InChI=1S/C14H14ClN5O4/c15-9-4-18-11(20-14(16)17)8-3-6(1-2-7(8)9)12(22)19-10(5-21)13(23)24/h1-4,10,21H,5H2,(H,19,22)(H,23,24)(H4,16,17,18,20)