2-[[1-[6-azanyl-2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[1-[6-azanyl-2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[1-[6-amino-2-[(2-amino-4-methylsulfanyl-butanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[[1-[6-amino-2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[1-[6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[1-[6-amino-2-[[2-amino-4-(methylthio)butanoyl]amino]hexanoyl]prolyl]amino]-5-guanidino-valeric acid Formula: C22H42N8O5S MolecularWeight: 530.68448

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O)N

InChI

InChI=1S/C22H42N8O5S/c1-36-13-9-14(24)18(31)28-15(6-2-3-10-23)20(33)30-12-5-8-17(30)19(32)29-16(21(34)35)7-4-11-27-22(25)26/h14-17H,2-13,23-24H2,1H3,(H,28,31)(H,29,32)(H,34,35)(H4,25,26,27)