6-azanyl-2-[[5-azanyl-2-[2-[[2-[[2-[[2-[[1-[5-azanyl-2-[[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoylamino]-5-oxidanylidene-pentanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[5-azanyl-2-[2-[[2-[[2-[[2-[[1-[5-azanyl-2-[[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoylamino]-5-oxidanylidene-pentanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[5-amino-2-[2-[[2-[[2-[[2-[[1-[5-amino-2-[[2-[(2,4-diamino-4-oxo-butanoyl)amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-pentanoyl]amino]propanoylamino]-5-oxo-pentanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[5-amino-2-[[2-[[2-[[2-[[2-[[[1-[5-amino-2-[[2-[(2,4-diamino-1,4-dioxobutyl)amino]-5-hydroxy-1,5-dioxopentyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxopropyl]amino]-1,5-dioxopentyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[5-amino-2-[2-[[2-[[2-[[2-[[1-[5-amino-2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-5-hydroxy-5-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-5-oxopentanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[5-amino-2-[2-[[2-[[2-[[2-[[1-[5-amino-2-[[2-[(2,4-diamino-4-keto-butanoyl)amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-keto-pentanoyl]prolyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-pentanoyl]amino]propanoylamino]-5-keto-pentanoyl]amino]hexanoic acid Formula: C47H81N17O18 MolecularWeight: 1172.24914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H81N17O18/c1-21(37(72)57-26(11-14-31(50)67)41(76)61-29(46(81)82)8-4-5-17-48)56-39(74)25(9-6-18-55-47(53)54)59-43(78)35(22(2)65)63-44(79)36(23(3)66)62-42(77)30-10-7-19-64(30)45(80)28(12-15-32(51)68)60-40(75)27(13-16-34(70)71)58-38(73)24(49)20-33(52)69/h21-30,35-36,65-66H,4-20,48-49H2,1-3H3,(H2,50,67)(H2,51,68)(H2,52,69)(H,56,74)(H,57,72)(H,58,73)(H,59,78)(H,60,75)(H,61,76)(H,62,77)(H,63,79)(H,70,71)(H,81,82)(H4,53,54,55)