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-oxidanyl-propanoyl]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-oxidanyl-propanoyl]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-hydroxy-propanoyl]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-hydroxy-1-oxopropyl]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-hydroxypropanoyl]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-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-keto-butanoyl]amino]-5-guanidino-valeric acid Formula: C43H81N19O15 MolecularWeight: 1104.22154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H81N19O15/c1-20(64)31(61-35(70)24(11-4-6-14-45)55-33(68)22(46)9-7-15-53-42(49)50)39(74)56-23(10-3-5-13-44)34(69)58-26(17-29(47)66)37(72)60-28(19-63)38(73)62-32(21(2)65)40(75)59-27(18-30(48)67)36(71)57-25(41(76)77)12-8-16-54-43(51)52/h20-28,31-32,63-65H,3-19,44-46H2,1-2H3,(H2,47,66)(H2,48,67)(H,55,68)(H,56,74)(H,57,71)(H,58,69)(H,59,75)(H,60,72)(H,61,70)(H,62,73)(H,76,77)(H4,49,50,53)(H4,51,52,54)