5-[[4-azanyl-1-[[1-[[1-[[4-azanyl-1-[[5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-[[2-[[6-azanyl-2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-azanyl-1-[[1-[[1-[[4-azanyl-1-[[5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-[[2-[[6-azanyl-2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[3-amino-1-[[2-[[1-[[3-amino-1-[(1-carboxy-4-guanidino-butyl)carbamoyl]-3-oxo-propyl]carbamoyl]-2-hydroxy-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-4-[[2-[[6-amino-2-[(2-amino-5-guanidino-pentanoyl)amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[4-amino-1-[[1-[[1-[[4-amino-1-[[5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[2-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[4-amino-1-[[1-[[1-[[4-amino-1-[[5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[2-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-[[3-amino-1-[[2-[[1-[[3-amino-1-[(1-carboxy-4-guanidino-butyl)carbamoyl]-3-keto-propyl]carbamoyl]-2-hydroxy-propyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-3-keto-propyl]amino]-4-[[2-[[6-amino-2-[(2-amino-5-guanidino-pentanoyl)amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-5-keto-valeric acid Formula: C42H76N18O17 MolecularWeight: 1105.16324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CCC(=O)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(CCC(=O)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/C42H76N18O17/c1-18(62)30(59-34(70)21(8-3-4-12-43)53-32(68)20(44)7-5-13-51-41(47)48)38(74)54-22(10-11-29(66)67)33(69)56-24(15-27(45)64)36(72)58-26(17-61)37(73)60-31(19(2)63)39(75)57-25(16-28(46)65)35(71)55-23(40(76)77)9-6-14-52-42(49)50/h18-26,30-31,61-63H,3-17,43-44H2,1-2H3,(H2,45,64)(H2,46,65)(H,53,68)(H,54,74)(H,55,71)(H,56,69)(H,57,75)(H,58,72)(H,59,70)(H,60,73)(H,66,67)(H,76,77)(H4,47,48,51)(H4,49,50,52)