(3R)-3-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]butanoic acid

Systemtic Name: (3R)-3-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]butanoic acid Openeye Name: (3R)-3-[[1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl]carbamoylamino]butanoic acid CAS Name: (3R)-3-[[[[1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]butanoic acid IUPAC Name: (3R)-3-[[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]butanoic acid Traditional Name: (3R)-3-[[1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl]carbamoylamino]butyric acid Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)NC1CCN(C1=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C[C@H](CC(=O)O)NC(=O)NC1CCN(C1=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C16H21N5O4/c1-9(8-13(22)23)19-16(25)20-12-6-7-21(15(12)24)11-4-2-10(3-5-11)14(17)18/h2-5,9,12H,6-8H2,1H3,(H3,17,18)(H,22,23)(H2,19,20,25)/t9-,12?/m1/s1