2-[2-(2-{2-[2-(2-{2-[2-(2-aminopropanamido)acetamido]-4-methylpentanamido}-4-methylpentanamido)-3-carboxypropanamido]-3-methylpentanamido}-4-methylpentanamido)acetamido]-4-methylpentanoic acid
AlkaPlorer ID: AK318415
Synonym: None
IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoic acid
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)CN=C(O)[C@H](C)N)C(O)=N[C@@H](CC(C)C)C(O)=NCC(O)=N[C@@H](CC(C)C)C(=O)O
InChI: InChI=1S/C41H73N9O12/c1-12-24(10)34(40(60)49-26(13-20(2)3)36(56)44-19-32(52)46-30(41(61)62)16-23(8)9)50-39(59)29(17-33(53)54)48-38(58)28(15-22(6)7)47-37(57)27(14-21(4)5)45-31(51)18-43-35(55)25(11)42/h20-30,34H,12-19,42H2,1-11H3,(H,43,55)(H,44,56)(H,45,51)(H,46,52)(H,47,57)(H,48,58)(H,49,60)(H,50,59)(H,53,54)(H,61,62)/t24-,25-,26-,27-,28-,29-,30-,34-/m0/s1
InChIKey: WJNHUXKXUNXSEJ-QKWDQXPQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rohdea chinensis | Rohdea | Asparagaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Crossopetalum gaumeri | Crossopetalum | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 884.0859999999998
TPSA？: 361.34
MolLogP？: 5.987000000000011
Number of H-Donors: 11
Number of H-Acceptors: 11
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|