3-[2-[[3-[(N-cyano-N'-ethyl-carbamimidoyl)amino]phenyl]carbonylamino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: 3-[2-[[3-[(N-cyano-N'-ethyl-carbamimidoyl)amino]phenyl]carbonylamino]ethanoylamino]-3-phenyl-propanoate Openeye Name: 3-[[2-[[3-[(N-cyano-N'-ethyl-carbamimidoyl)amino]benzoyl]amino]acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[[[3-[[(cyanoamino)-ethyliminomethyl]amino]phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-phenylpropanoate IUPAC Name: 3-[[2-[[3-[(N-cyano-N'-ethylcarbamimidoyl)amino]benzoyl]amino]acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[[3-[(N-cyano-N'-ethyl-amidino)amino]benzoyl]amino]acetyl]amino]-3-phenyl-propionate Formula: C22H23N6O4- MolecularWeight: 435.45582

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(NC#N)NC1=CC=CC(=C1)C(=O)NCC(=O)NC(CC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCN=C(NC#N)NC1=CC=CC(=C1)C(=O)NCC(=O)NC(CC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C22H24N6O4/c1-2-24-22(26-14-23)27-17-10-6-9-16(11-17)21(32)25-13-19(29)28-18(12-20(30)31)15-7-4-3-5-8-15/h3-11,18H,2,12-13H2,1H3,(H,25,32)(H,28,29)(H,30,31)(H2,24,26,27)/p-1