ethyl (2R)-2-[(3-carbamimidoylphenyl)carbonylamino]-3-(1H-indol-2-yl)propanoate

Systemtic Name: ethyl (2R)-2-[(3-carbamimidoylphenyl)carbonylamino]-3-(1H-indol-2-yl)propanoate Openeye Name: ethyl (2R)-2-[(3-carbamimidoylbenzoyl)amino]-3-(1H-indol-2-yl)propanoate CAS Name: (2R)-2-[[(3-carbamimidoylphenyl)-oxomethyl]amino]-3-(1H-indol-2-yl)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(3-carbamimidoylbenzoyl)amino]-3-(1H-indol-2-yl)propanoate Traditional Name: (2R)-2-[(3-amidinobenzoyl)amino]-3-(1H-indol-2-yl)propionic acid ethyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=CC=CC=C2N1)NC(=O)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CCOC(=O)[C@@H](CC1=CC2=CC=CC=C2N1)NC(=O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C21H22N4O3/c1-2-28-21(27)18(12-16-11-13-6-3-4-9-17(13)24-16)25-20(26)15-8-5-7-14(10-15)19(22)23/h3-11,18,24H,2,12H2,1H3,(H3,22,23)(H,25,26)/t18-/m1/s1