(3S)-3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: (3S)-3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-pyridin-3-yl-propanoic acid Openeye Name: (3S)-3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: (3S)-3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: (3S)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: (3S)-3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-3-(3-pyridyl)propionic acid Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4/c20-19(21)12-3-5-14(6-4-12)23-16(25)7-8-17(26)24-15(10-18(27)28)13-2-1-9-22-11-13/h1-6,9,11,15H,7-8,10H2,(H3,20,21)(H,23,25)(H,24,26)(H,27,28)/t15-/m0/s1