(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-methylpentanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-4-methylpentanamido]acetamido}-4-methylpentanamido]-3-carbamoylpropanamido]-4-methyl
AlkaPlorer ID: AK260070
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid
Structure
SMILES: CC(C)C[C@H](N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CC(C)C)N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)CN)C(=O)O
InChI: InChI=1S/C44H79N11O14/c1-21(2)11-26(37(61)47-18-36(60)49-28(13-23(5)6)39(63)52-30(16-34(46)58)41(65)53-31(44(68)69)15-25(9)10)50-42(66)32(19-56)55-43(67)33(20-57)54-40(64)29(14-24(7)8)51-38(62)27(12-22(3)4)48-35(59)17-45/h21-33,56-57H,11-20,45H2,1-10H3,(H2,46,58)(H,47,61)(H,48,59)(H,49,60)(H,50,66)(H,51,62)(H,52,63)(H,53,65)(H,54,64)(H,55,67)(H,68,69)/t26-,27-,28-,29-,30-,31-,32-,33-/m0/s1
InChIKey: JCWSPBAUIIJKRC-DKTXOJPGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Limnodynastes dumerilii | Limnodynastes | Limnodynastidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 986.179
TPSA？: 441.1700000000001
MolLogP？: 4.727470000000011
Number of H-Donors: 15
Number of H-Acceptors: 14
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|