2-[[6-azanyl-2-[2-[[6-azanyl-2-[[6-azanyl-2-[[1-[2-[[6-azanyl-2-(pyrrolidin-2-ylcarbonylamino)hexanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[6-azanyl-2-[2-[[6-azanyl-2-[[6-azanyl-2-[[1-[2-[[6-azanyl-2-(pyrrolidin-2-ylcarbonylamino)hexanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[6-amino-2-[2-[[6-amino-2-[[6-amino-2-[[1-[2-[[6-amino-2-(pyrrolidine-2-carbonylamino)hexanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[6-amino-2-[[2-[[6-amino-2-[[6-amino-2-[[[1-[2-[[6-amino-1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]hexyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[6-amino-2-[2-[[6-amino-2-[[6-amino-2-[[1-[2-[[6-amino-2-(pyrrolidine-2-carbonylamino)hexanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[6-amino-2-[2-[[6-amino-2-[[6-amino-2-[[1-[2-[[6-amino-2-(prolylamino)hexanoyl]amino]-3-hydroxy-butanoyl]prolyl]amino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]-4-methyl-valeric acid Formula: C47H87N13O11 MolecularWeight: 1010.27418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C2CCCN2

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C2CCCN2

InChI

InChI=1S/C47H87N13O11/c1-28(2)27-36(47(70)71)58-43(66)33(16-6-10-22-49)54-39(62)29(3)53-41(64)32(15-5-9-21-48)56-42(65)34(17-7-11-23-50)57-45(68)37-20-14-26-60(37)46(69)38(30(4)61)59-44(67)35(18-8-12-24-51)55-40(63)31-19-13-25-52-31/h28-38,52,61H,5-27,48-51H2,1-4H3,(H,53,64)(H,54,62)(H,55,63)(H,56,65)(H,57,68)(H,58,66)(H,59,67)(H,70,71)