(3S)-3-[2-[(4-carbamimidoylphenyl)carbamoylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: (3S)-3-[2-[(4-carbamimidoylphenyl)carbamoylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: (3S)-3-[[2-[(4-carbamimidoylphenyl)carbamoylamino]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: (3S)-3-[[2-[[(4-carbamimidoylanilino)-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: (3S)-3-[[2-[(4-carbamimidoylphenyl)carbamoylamino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: (3S)-3-[[2-[(4-amidinophenyl)carbamoylamino]acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O4/c19-17(20)11-3-5-13(6-4-11)23-18(28)22-10-15(25)24-14(8-16(26)27)12-2-1-7-21-9-12/h1-7,9,14H,8,10H2,(H3,19,20)(H,24,25)(H,26,27)(H2,22,23,28)/t14-/m0/s1