6-azanyl-2-[[1-[6-azanyl-2-[[2-[[2-[[6-azanyl-2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[1-[6-azanyl-2-[[2-[[2-[[6-azanyl-2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]hexanoic acid Openeye Name: 6-amino-2-[[1-[6-amino-2-[[2-[[2-[[6-amino-2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid CAS Name: 6-amino-2-[[[1-[6-amino-2-[[2-[[2-[[6-amino-2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[1-[6-amino-2-[[2-[[2-[[6-amino-2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[1-[6-amino-2-[[2-[[2-[[6-amino-2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]prolyl]amino]hexanoic acid Formula: C40H75N13O10 MolecularWeight: 898.1046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C40H75N13O10/c1-24(2)23-30(52-35(58)26(11-3-6-18-41)48-33(56)25(44)16-17-32(54)55)36(59)49-27(14-9-21-47-40(45)46)34(57)50-28(12-4-7-19-42)38(61)53-22-10-15-31(53)37(60)51-29(39(62)63)13-5-8-20-43/h24-31H,3-23,41-44H2,1-2H3,(H,48,56)(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H,54,55)(H,62,63)(H4,45,46,47)