(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]propanamido]-3-methylpentanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanoic acid
AlkaPlorer ID: AK055129
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoic acid
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](C)N=C(O)[C@@H](N)C(C)C)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCSC)C(=O)O
InChI: InChI=1S/C24H44N6O7S/c1-7-13(4)19(30-20(32)14(5)27-22(34)18(26)12(2)3)23(35)28-15(8-9-17(25)31)21(33)29-16(24(36)37)10-11-38-6/h12-16,18-19H,7-11,26H2,1-6H3,(H2,25,31)(H,27,34)(H,28,35)(H,29,33)(H,30,32)(H,36,37)/t13-,14-,15-,16-,18-,19-/m0/s1
InChIKey: ZCNCXMBCCTWJIO-USOAJAOKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phytolacca americana | Phytolacca | Phytolaccaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 560.7180000000003
TPSA？: 237.76
MolLogP？: 3.489270000000004
Number of H-Donors: 8
Number of H-Acceptors: 8
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|