2-[[2-[[2-[[2-[[2-[[2-[2-[[6-azanyl-2-[(2-azanyl-3-methyl-butanoyl)amino]hexanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2-[[2-[2-[[6-azanyl-2-[(2-azanyl-3-methyl-butanoyl)amino]hexanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[2-[[6-amino-2-[(2-amino-3-methyl-butanoyl)amino]hexanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[(2-amino-3-methyl-1-oxobutyl)amino]-1-oxohexyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[2-[[6-amino-2-[(2-amino-3-methylbutanoyl)amino]hexanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[2-[[6-amino-2-[(2-amino-3-methyl-butanoyl)amino]hexanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-valeric acid Formula: C49H95N19O10 MolecularWeight: 1110.3999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H95N19O10/c1-25(2)23-34(66-38(69)29(9)61-39(70)30(15-10-11-19-50)64-44(75)36(51)27(5)6)43(74)63-33(18-14-22-60-49(56)57)42(73)68-37(28(7)8)45(76)65-32(17-13-21-59-48(54)55)40(71)62-31(16-12-20-58-47(52)53)41(72)67-35(46(77)78)24-26(3)4/h25-37H,10-24,50-51H2,1-9H3,(H,61,70)(H,62,71)(H,63,74)(H,64,75)(H,65,76)(H,66,69)(H,67,72)(H,68,73)(H,77,78)(H4,52,53,58)(H4,54,55,59)(H4,56,57,60)