[2-[[3-[bis(azanyl)methylideneamino]phenyl]carbonylamino]ethanoylamino] pent-2-ynoate

Systemtic Name: [2-[[3-[bis(azanyl)methylideneamino]phenyl]carbonylamino]ethanoylamino] pent-2-ynoate Openeye Name: [[2-[(3-guanidinobenzoyl)amino]acetyl]amino] pent-2-ynoate CAS Name: 2-pentynoic acid [[2-[[[3-(diaminomethylideneamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino] ester IUPAC Name: [[2-[[3-(diaminomethylideneamino)benzoyl]amino]acetyl]amino] pent-2-ynoate Traditional Name: pent-2-ynoic acid [[2-[(3-guanidinobenzoyl)amino]acetyl]amino] ester Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(=O)ONC(=O)CNC(=O)C1=CC(=CC=C1)N=C(N)N

Isomeric SMILES

CCC#CC(=O)ONC(=O)CNC(=O)C1=CC(=CC=C1)N=C(N)N

InChI

InChI=1S/C15H17N5O4/c1-2-3-7-13(22)24-20-12(21)9-18-14(23)10-5-4-6-11(8-10)19-15(16)17/h4-6,8H,2,9H2,1H3,(H,18,23)(H,20,21)(H4,16,17,19)