4-methyl-2-[[4-oxidanyl-4-oxidanylidene-2-[[4-oxidanylidene-2-[2-oxidanylidene-3-(pentan-3-ylcarbamoylamino)piperidin-1-yl]-4-pyrrolidin-1-yl-butanoyl]amino]butanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[4-oxidanyl-4-oxidanylidene-2-[[4-oxidanylidene-2-[2-oxidanylidene-3-(pentan-3-ylcarbamoylamino)piperidin-1-yl]-4-pyrrolidin-1-yl-butanoyl]amino]butanoyl]amino]pentanoic acid Openeye Name: 2-[[2-[[2-[3-(1-ethylpropylcarbamoylamino)-2-oxo-1-piperidyl]-4-oxo-4-pyrrolidin-1-yl-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[1,4-dioxo-2-[2-oxo-3-[[oxo-(pentan-3-ylamino)methyl]amino]-1-piperidinyl]-4-(1-pyrrolidinyl)butyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-hydroxy-4-oxo-2-[[4-oxo-2-[2-oxo-3-(pentan-3-ylcarbamoylamino)piperidin-1-yl]-4-pyrrolidin-1-ylbutanoyl]amino]butanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[3-(1-ethylpropylcarbamoylamino)-2-keto-piperidino]-4-keto-4-pyrrolidino-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C29H48N6O9 MolecularWeight: 624.72622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)NC1CCCN(C1=O)C(CC(=O)N2CCCC2)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CCC(CC)NC(=O)NC1CCCN(C1=O)C(CC(=O)N2CCCC2)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C29H48N6O9/c1-5-18(6-2)30-29(44)33-19-10-9-13-35(27(19)41)22(16-23(36)34-11-7-8-12-34)26(40)31-20(15-24(37)38)25(39)32-21(28(42)43)14-17(3)4/h17-22H,5-16H2,1-4H3,(H,31,40)(H,32,39)(H,37,38)(H,42,43)(H2,30,33,44)