2-[[1-[6-azanyl-2-[(2-azanyl-3-sulfanyl-propanoyl)amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[1-[6-azanyl-2-[(2-azanyl-3-sulfanyl-propanoyl)amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[1-[6-amino-2-[(2-amino-3-sulfanyl-propanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[[1-[6-amino-2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[1-[6-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[1-[6-amino-2-[(2-amino-3-mercapto-propanoyl)amino]hexanoyl]prolyl]amino]-5-guanidino-valeric acid Formula: C20H38N8O5S MolecularWeight: 502.63132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NC(=O)C(CS)N)C(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)NC(=O)C(CS)N)C(=O)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C20H38N8O5S/c21-8-2-1-5-13(26-16(29)12(22)11-34)18(31)28-10-4-7-15(28)17(30)27-14(19(32)33)6-3-9-25-20(23)24/h12-15,34H,1-11,21-22H2,(H,26,29)(H,27,30)(H,32,33)(H4,23,24,25)