2-[(3-carbamimidoylphenyl)amino]-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-3-oxidanyl-propanamide

Systemtic Name: 2-[(3-carbamimidoylphenyl)amino]-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-3-oxidanyl-propanamide Openeye Name: 2-(3-carbamimidoylanilino)-3-hydroxy-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]propanamide CAS Name: 2-(3-carbamimidoylanilino)-3-hydroxy-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide IUPAC Name: 2-(3-carbamimidoylanilino)-3-hydroxy-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide Traditional Name: 2-(3-amidinoanilino)-3-hydroxy-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl]propionamide Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CNC(=O)C(CO)NC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CNC(=O)C(CO)NC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C22H26N6O3/c23-21(24)14-4-3-5-16(10-14)28-19(13-29)22(31)27-12-20(30)25-9-8-15-11-26-18-7-2-1-6-17(15)18/h1-7,10-11,19,26,28-29H,8-9,12-13H2,(H3,23,24)(H,25,30)(H,27,31)