2-[[6-azanyl-2-[2-[[6-azanyl-2-[[2-[[2-[[1-(2-azanyl-3-methyl-butanoyl)pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[6-azanyl-2-[2-[[6-azanyl-2-[[2-[[2-[[1-(2-azanyl-3-methyl-butanoyl)pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[6-amino-2-[2-[[6-amino-2-[[2-[[2-[[1-(2-amino-3-methyl-butanoyl)pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[2-[[[1-(2-amino-3-methyl-1-oxobutyl)-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[6-amino-2-[2-[[6-amino-2-[[2-[[2-[[1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[6-amino-2-[2-[[6-amino-2-[[2-[[2-[[1-(2-amino-3-methyl-butanoyl)prolyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]-3-methyl-valeric acid Formula: C43H82N16O9 MolecularWeight: 967.21298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C(C(C)C)N

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C(C(C)C)N

InChI

InChI=1S/C43H82N16O9/c1-6-25(4)33(41(67)68)58-38(64)28(15-8-10-20-45)54-34(60)26(5)53-35(61)27(14-7-9-19-44)55-36(62)29(16-11-21-51-42(47)48)56-37(63)30(17-12-22-52-43(49)50)57-39(65)31-18-13-23-59(31)40(66)32(46)24(2)3/h24-33H,6-23,44-46H2,1-5H3,(H,53,61)(H,54,60)(H,55,62)(H,56,63)(H,57,65)(H,58,64)(H,67,68)(H4,47,48,51)(H4,49,50,52)