(2S,3S)-3-[[(2S)-1-[[N'-(4-azanylbutyl)carbamimidoyl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: (2S,3S)-3-[[(2S)-1-[[N'-(4-azanylbutyl)carbamimidoyl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: (2S,3S)-3-[[(1S)-2-[[N'-(4-aminobutyl)carbamimidoyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: (2S,3S)-3-[[[(2S)-1-[[amino(4-aminobutylimino)methyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: (2S,3S)-3-[[(2S)-1-[[N'-(4-aminobutyl)carbamimidoyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: (2S,3S)-3-[[(1S)-2-[[N'-(4-aminobutyl)amidino]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]oxirane-2-carboxylic acid Formula: C18H25N5O6 MolecularWeight: 407.421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(=NCCCCN)N)NC(=O)C2C(O2)C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)NC(=NCCCCN)N)NC(=O)[C@@H]2[C@H](O2)C(=O)O)O

InChI

InChI=1S/C18H25N5O6/c19-7-1-2-8-21-18(20)23-15(25)12(9-10-3-5-11(24)6-4-10)22-16(26)13-14(29-13)17(27)28/h3-6,12-14,24H,1-2,7-9,19H2,(H,22,26)(H,27,28)(H3,20,21,23,25)/t12-,13-,14-/m0/s1