6-azanyl-2-[[6-azanyl-2-[[2-[[2-[2-[[2-[[2-[2-[[2-[[2-[[4-azanyl-2-[(2-azanyl-3-methyl-butanoyl)amino]-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[6-azanyl-2-[[2-[[2-[2-[[2-[[2-[2-[[2-[[2-[[4-azanyl-2-[(2-azanyl-3-methyl-butanoyl)amino]-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[(2-amino-3-methyl-butanoyl)amino]-4-oxo-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[(2-amino-3-methyl-1-oxobutyl)amino]-1,4-dioxobutyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[(2-amino-3-methylbutanoyl)amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[(2-amino-3-methyl-butanoyl)amino]-4-keto-butanoyl]amino]-4-(methylthio)butanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]hexanoic acid Formula: C56H99N15O19S MolecularWeight: 1318.53936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CCSC)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CCSC)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)N

InChI

InChI=1S/C56H99N15O19S/c1-28(2)23-37(51(84)69-38(24-29(3)4)52(85)65-32(13-9-11-20-57)48(81)68-36(56(89)90)14-10-12-21-58)64-42(75)26-61-47(80)33(15-17-43(76)77)66-49(82)34(16-18-44(78)79)63-41(74)27-62-55(88)46(31(7)72)71-50(83)35(19-22-91-8)67-53(86)39(25-40(59)73)70-54(87)45(60)30(5)6/h28-39,45-46,72H,9-27,57-58,60H2,1-8H3,(H2,59,73)(H,61,80)(H,62,88)(H,63,74)(H,64,75)(H,65,85)(H,66,82)(H,67,86)(H,68,81)(H,69,84)(H,70,87)(H,71,83)(H,76,77)(H,78,79)(H,89,90)