2-({1-[2-({1-[2-(2-amino-3-methylbutanamido)-4-methylpentanoyl]pyrrolidin-2-yl}formamido)-3-methylbutanoyl]pyrrolidin-2-yl}formamido)pentanedioic acid

AlkaPlorer ID: AK441696

Synonym: None

IUPAC Name: 2-[[1-[2-[[1-[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid

Structure

SMILES: CC(C)CC(N=C(O)C(N)C(C)C)C(=O)N1CCCC1C(O)=NC(C(=O)N1CCCC1C(O)=NC(CCC(=O)O)C(=O)O)C(C)C

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InChI: InChI=1S/C31H52N6O9/c1-16(2)15-20(34-28(42)24(32)17(3)4)29(43)36-13-7-10-22(36)27(41)35-25(18(5)6)30(44)37-14-8-9-21(37)26(40)33-19(31(45)46)11-12-23(38)39/h16-22,24-25H,7-15,32H2,1-6H3,(H,33,40)(H,34,42)(H,35,41)(H,38,39)(H,45,46)

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InChIKey: LCNRNDRZNJKVNQ-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 652.7900000000003

TPSA: 239.01

MolLogP: 2.5785000000000062

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information