2-[[4-azanyl-2-[[2-[[2-[[4-azanyl-2-[[2-[[2-[[6-azanyl-2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]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-[[2-[[2-[[6-azanyl-2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]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-[[2-[[2-[[6-amino-2-[(2-amino-5-guanidino-pentanoyl)amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]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-[[2-[[2-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]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-[[2-[[2-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]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-[[2-[[2-[[6-amino-2-[(2-amino-5-guanidino-pentanoyl)amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-4-keto-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-keto-butanoyl]amino]-5-guanidino-valeric acid Formula: C41H76N18O16 MolecularWeight: 1077.15314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(C(C)O)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(C(C)O)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/C41H76N18O16/c1-17(61)28(36(71)54-23(14-26(44)64)33(68)53-22(39(74)75)10-7-13-51-41(48)49)58-35(70)25(16-60)56-34(69)24(15-27(45)65)55-37(72)29(18(2)62)59-38(73)30(19(3)63)57-32(67)21(9-4-5-11-42)52-31(66)20(43)8-6-12-50-40(46)47/h17-25,28-30,60-63H,4-16,42-43H2,1-3H3,(H2,44,64)(H2,45,65)(H,52,66)(H,53,68)(H,54,71)(H,55,72)(H,56,69)(H,57,67)(H,58,70)(H,59,73)(H,74,75)(H4,46,47,50)(H4,48,49,51)