None

AlkaPlorer ID: AK369901

Synonym: None

IUPAC Name: (2S,3S)-4-[[(2R,3R)-1-[[(2S)-3-carboxy-1-[[(2R)-5-[hydroxy-[(3S)-3-hydroxybutanoyl]amino]-1-[[(2S)-3-hydroxy-1-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(dodecanoylamino)-2-hydroxy-4-oxobutanoic acid

Structure

SMILES: CCCCCCCCCCCC(O)=N[C@H](C(O)=N[C@@H](C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](CCCN(O)C(=O)C[C@H](C)O)C(O)=N[C@@H](CO)C(O)=N[C@H]1CCCN(O)C1=O)[C@@H](C)O)[C@H](O)C(=O)O

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InChI: InChI=1S/C41H70N8O18/c1-4-5-6-7-8-9-10-11-12-17-29(53)46-33(34(57)41(64)65)39(62)47-32(24(3)52)38(61)44-27(21-31(55)56)36(59)42-25(15-13-18-48(66)30(54)20-23(2)51)35(58)45-28(22-50)37(60)43-26-16-14-19-49(67)40(26)63/h23-28,32-34,50-52,57,66-67H,4-22H2,1-3H3,(H,42,59)(H,43,60)(H,44,61)(H,45,58)(H,46,53)(H,47,62)(H,55,56)(H,64,65)/t23-,24+,25+,26-,27-,28-,32+,33-,34-/m0/s1

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InChIKey: DSEHLJGXEXFDGA-UVWMAGHCSA-N

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Properties Information

Molecule Weight: 963.0490000000002

TPSA: 432.14

MolLogP: 1.931700000000008

Number of H-Donors: 14

Number of H-Acceptors: 16

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information