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

Systemtic Name: 2-[5-[[2-azanyl-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]pentanoylamino]-3-oxidanyl-butanedioic acid Openeye Name: 2-[5-[[2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]pentanoylamino]-3-hydroxy-butanedioic acid CAS Name: 2-[[5-[[2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)-1-oxopropyl]amino]-1-oxopentyl]amino]-3-hydroxybutanedioic acid IUPAC Name: 2-[5-[[2-amino-3-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)propanoyl]amino]pentanoylamino]-3-hydroxybutanedioic acid Traditional Name: 2-[5-[[3-(1-amidino-3-pyrrolin-3-yl)-2-amino-propanoyl]amino]pentanoylamino]-3-hydroxy-succinic acid Formula: C17H28N6O7 MolecularWeight: 428.44022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N6O7/c18-10(7-9-4-6-23(8-9)17(19)20)14(26)21-5-2-1-3-11(24)22-12(15(27)28)13(25)16(29)30/h4,10,12-13,25H,1-3,5-8,18H2,(H3,19,20)(H,21,26)(H,22,24)(H,27,28)(H,29,30)