(2S)-2-azanyl-3-[3-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]propanoylamino]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[3-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]propanoylamino]propanoic acid Openeye Name: (2S)-2-amino-3-[3-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]propanoylamino]propanoic acid CAS Name: (2S)-2-amino-3-[[3-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-2-amino-3-[3-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]propanoylamino]propanoic acid Traditional Name: (2S)-3-[3-[(5-amidinobenzofuran-2-carbonyl)amino]propanoylamino]-2-amino-propionic acid Formula: C16H19N5O5 MolecularWeight: 361.35256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=N)N)C=C(O2)C(=O)NCCC(=O)NCC(C(=O)O)N

Isomeric SMILES

C1=CC2=C(C=C1C(=N)N)C=C(O2)C(=O)NCCC(=O)NC[C@@H](C(=O)O)N

InChI

InChI=1S/C16H19N5O5/c17-10(16(24)25)7-21-13(22)3-4-20-15(23)12-6-9-5-8(14(18)19)1-2-11(9)26-12/h1-2,5-6,10H,3-4,7,17H2,(H3,18,19)(H,20,23)(H,21,22)(H,24,25)/t10-/m0/s1