2-[[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino]ethanoyl 5-azanylpent-4-ynoate

Systemtic Name: 2-[[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino]ethanoyl 5-azanylpent-4-ynoate Openeye Name: [2-[(2-guanidinobenzoyl)amino]acetyl] 5-aminopent-4-ynoate CAS Name: 5-amino-4-pentynoic acid [2-[[[2-(diaminomethylideneamino)phenyl]-oxomethyl]amino]-1-oxoethyl] ester IUPAC Name: [2-[[2-(diaminomethylideneamino)benzoyl]amino]acetyl] 5-aminopent-4-ynoate Traditional Name: 5-aminopent-4-ynoic acid [2-[(2-guanidinobenzoyl)amino]acetyl] ester Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC(=O)OC(=O)CCC#CN)N=C(N)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC(=O)OC(=O)CCC#CN)N=C(N)N

InChI

InChI=1S/C15H17N5O4/c16-8-4-3-7-12(21)24-13(22)9-19-14(23)10-5-1-2-6-11(10)20-15(17)18/h1-2,5-6H,3,7,9,16H2,(H,19,23)(H4,17,18,20)