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

Systemtic Name: 2-[[4-azanyl-2-[[2-[[2-[[4-azanyl-2-[[6-azanyl-2-[[2-[[6-azanyl-2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[4-amino-2-[[2-[[2-[[4-amino-2-[[6-amino-2-[[2-[[6-amino-2-[(2-amino-5-guanidino-pentanoyl)amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-oxo-butanoyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[4-amino-2-[[2-[[2-[[4-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxohexyl]amino]-1,4-dioxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[4-amino-2-[[2-[[2-[[4-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[4-amino-2-[[2-[[2-[[4-amino-2-[[6-amino-2-[[2-[[6-amino-2-[(2-amino-5-guanidino-pentanoyl)amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]-4-keto-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-keto-butanoyl]amino]-5-guanidino-valeric acid Formula: C46H87N19O14 MolecularWeight: 1130.30188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H87N19O14/c1-5-22(2)33(41(75)65-35(24(4)67)43(77)62-29(20-31(50)68)39(73)60-28(44(78)79)15-11-19-57-46(54)55)63-40(74)30(21-32(51)69)61-37(71)26(13-6-8-16-47)59-42(76)34(23(3)66)64-38(72)27(14-7-9-17-48)58-36(70)25(49)12-10-18-56-45(52)53/h22-30,33-35,66-67H,5-21,47-49H2,1-4H3,(H2,50,68)(H2,51,69)(H,58,70)(H,59,76)(H,60,73)(H,61,71)(H,62,77)(H,63,74)(H,64,72)(H,65,75)(H,78,79)(H4,52,53,56)(H4,54,55,57)