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1-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]phenyl]carbonylpyrrolidine-2-carboxylic acid

1-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name:1-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]phenyl]carbonylpyrrolidine-2-carboxylic acid
Openeye Name:1-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]benzoyl]pyrrolidine-2-carboxylic acid
CAS Name:1-[[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid
IUPAC Name:1-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]benzoyl]pyrrolidine-2-carboxylic acid
Traditional Name:1-[4-[3-(4-amidinoanilino)prop-1-ynyl]benzoyl]proline
Formula: C22H22N4O3
MolecularWeight: 390.43508
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N)C(=O)O


Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N)C(=O)O


InChI

InChI=1S/C22H22N4O3/c23-20(24)16-9-11-18(12-10-16)25-13-1-3-15-5-7-17(8-6-15)21(27)26-14-2-4-19(26)22(28)29/h5-12,19,25H,2,4,13-14H2,(H3,23,24)(H,28,29)


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