N-(2-aminobutanoyl)-N-[2-(2-aminobutanoyl)-3-hydroxy-6-imino-1,4-dioxo-5-phenylhexan-2-yl]-3,4-dichloropyrrolidine-2-carboxamide
AlkaPlorer ID: AK084096
Synonym: None
IUPAC Name: (2R,4R)-N-(2-aminobutanoyl)-N-[(4S,5S)-7-amino-5-formyl-4-hydroxy-1-imino-3,6-dioxo-2-phenylnonan-5-yl]-3,4-dichloropyrrolidine-2-carboxamide
Structure
SMILES: CCC(N)C(=O)N(C(=O)[C@H]1NC[C@@H](Cl)C1Cl)[C@@](C=O)(C(=O)C(N)CC)[C@H](O)C(=O)C(C=N)C1=CC=CC=C1
InChI: InChI=1S/C25H33Cl2N5O6/c1-3-16(29)21(35)25(12-33,22(36)20(34)14(10-28)13-8-6-5-7-9-13)32(23(37)17(30)4-2)24(38)19-18(27)15(26)11-31-19/h5-10,12,14-19,22,28,31,36H,3-4,11,29-30H2,1-2H3/t14?,15-,16?,17?,18?,19+,22-,25+/m1/s1
InChIKey: MUWSKAXEQCKXQN-KJRKMCEKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aster tataricus | Aster | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 570.4740000000004
TPSA？: 196.74
MolLogP？: -0.1270299999999948
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|