ethyl 3-[[(2S)-2-[(4-carbamimidoylphenyl)carbamoylamino]-4-methyl-pentanoyl]amino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 3-[[(2S)-2-[(4-carbamimidoylphenyl)carbamoylamino]-4-methyl-pentanoyl]amino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[[(2S)-2-[(4-carbamimidoylphenyl)carbamoylamino]-4-methyl-pentanoyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[(2S)-2-[[(4-carbamimidoylanilino)-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-2-[(4-carbamimidoylphenyl)carbamoylamino]-4-methylpentanoyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[(2S)-2-[(4-amidinophenyl)carbamoylamino]-4-methyl-pentanoyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C24H32N6O4 MolecularWeight: 468.54868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)C(CC(C)C)NC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C24H32N6O4/c1-4-34-21(31)13-19(17-6-5-11-27-14-17)29-23(32)20(12-15(2)3)30-24(33)28-18-9-7-16(8-10-18)22(25)26/h5-11,14-15,19-20H,4,12-13H2,1-3H3,(H3,25,26)(H,29,32)(H2,28,30,33)/t19?,20-/m0/s1