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

Systemtic Name: 2-[[2-[[2-[[2-[[6-azanyl-2-[[6-azanyl-2-[2-[[5-azanyl-2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[5-amino-2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-hydroxy-butanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[5-amino-2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-hydroxy-1-oxobutyl]amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[5-amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[5-amino-2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-hydroxy-butanoyl]amino]-5-keto-pentanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-valeric acid Formula: C50H93N13O14 MolecularWeight: 1100.35212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H93N13O14/c1-11-28(8)39(47(73)63-41(30(10)65)49(75)60-38(27(6)7)46(72)59-35(50(76)77)23-26(4)5)61-45(71)33(17-13-15-21-52)57-44(70)32(16-12-14-20-51)56-37(67)24-55-43(69)34(18-19-36(54)66)58-48(74)40(29(9)64)62-42(68)31(53)22-25(2)3/h25-35,38-41,64-65H,11-24,51-53H2,1-10H3,(H2,54,66)(H,55,69)(H,56,67)(H,57,70)(H,58,74)(H,59,72)(H,60,75)(H,61,71)(H,62,68)(H,63,73)(H,76,77)