2-[6-[[2-azanyl-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]hexanoylamino]-3-oxidanyl-butanedioic acid

Systemtic Name: 2-[6-[[2-azanyl-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]hexanoylamino]-3-oxidanyl-butanedioic acid Openeye Name: 2-[6-[[2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]hexanoylamino]-3-hydroxy-butanedioic acid CAS Name: 2-[[6-[[2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-3-hydroxybutanedioic acid IUPAC Name: 2-[6-[[2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]hexanoylamino]-3-hydroxybutanedioic acid Traditional Name: 2-[6-[[3-(1-amidino-3-pyrrolin-3-yl)-2-amino-propanoyl]amino]hexanoylamino]-3-hydroxy-succinic acid Formula: C18H30N6O7 MolecularWeight: 442.4668

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CN1C(=N)N)CC(C(=O)NCCCCCC(=O)NC(C(C(=O)O)O)C(=O)O)N

Isomeric SMILES

C1C=C(CN1C(=N)N)CC(C(=O)NCCCCCC(=O)NC(C(C(=O)O)O)C(=O)O)N

InChI

InChI=1S/C18H30N6O7/c19-11(8-10-5-7-24(9-10)18(20)21)15(27)22-6-3-1-2-4-12(25)23-13(16(28)29)14(26)17(30)31/h5,11,13-14,26H,1-4,6-9,19H2,(H3,20,21)(H,22,27)(H,23,25)(H,28,29)(H,30,31)