2-[2-[2-[2-[2-[[2-[2-[2-[[2-[[2-[[2-[[2-[[6-azanyl-2-(pyrrolidin-2-ylcarbonylamino)hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]propanoylamino]-3-methyl-butanoyl]amino]propanoylamino]ethanoylamino]ethanoylamino]propanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[2-[2-[2-[2-[[2-[2-[2-[[2-[[2-[[2-[[2-[[6-azanyl-2-(pyrrolidin-2-ylcarbonylamino)hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]propanoylamino]-3-methyl-butanoyl]amino]propanoylamino]ethanoylamino]ethanoylamino]propanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[2-[[2-[[2-[2-[[2-[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-(pyrrolidine-2-carbonylamino)hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]propanoylamino]-3-methyl-butanoyl]amino]propanoylamino]acetyl]amino]acetyl]amino]propanoylamino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]hexyl]amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[2-[[2-[[2-[2-[[2-[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-(pyrrolidine-2-carbonylamino)hexanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]propanoylamino]-3-methylbutanoyl]amino]propanoylamino]acetyl]amino]acetyl]amino]propanoylamino]-3-hydroxybutanoic acid Traditional Name: 2-[2-[[2-[[2-[2-[[2-[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-(prolylamino)hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]propanoylamino]-3-methyl-butanoyl]amino]propanoylamino]acetyl]amino]acetyl]amino]propanoylamino]-3-hydroxy-butyric acid Formula: C56H99N15O16 MolecularWeight: 1238.47616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NCC(=O)NCC(=O)NC(C)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CCCCN)NC(=O)C1CCCN1

Isomeric SMILES

CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NCC(=O)NCC(=O)NC(C)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CCCCN)NC(=O)C1CCCN1

InChI

InChI=1S/C56H99N15O16/c1-15-30(10)44(70-50(80)36(19-16-17-21-57)65-49(79)35-20-18-22-58-35)55(85)69-43(29(8)9)54(84)68-42(28(6)7)53(83)67-40(26(2)3)51(81)61-25-39(75)63-32(12)47(77)66-41(27(4)5)52(82)64-31(11)46(76)60-23-37(73)59-24-38(74)62-33(13)48(78)71-45(34(14)72)56(86)87/h26-36,40-45,58,72H,15-25,57H2,1-14H3,(H,59,73)(H,60,76)(H,61,81)(H,62,74)(H,63,75)(H,64,82)(H,65,79)(H,66,77)(H,67,83)(H,68,84)(H,69,85)(H,70,80)(H,71,78)(H,86,87)