(3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-4-methylpentanamido]-4-methylpentanamido]-3-{[(1S,2S)-1-{[(1S)-1-[({[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}propanoic acid
AlkaPlorer ID: AK264345
Synonym: None
IUPAC Name: (3S)-4-[[(2S,3S)-1-[[(2S)-1-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic 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(=N)O
InChI: InChI=1S/C41H74N10O11/c1-12-24(10)34(41(62)50-27(14-21(4)5)37(58)45-19-31(52)46-26(35(43)56)13-20(2)3)51-40(61)30(17-33(54)55)49-39(60)29(16-23(8)9)48-38(59)28(15-22(6)7)47-32(53)18-44-36(57)25(11)42/h20-30,34H,12-19,42H2,1-11H3,(H2,43,56)(H,44,57)(H,45,58)(H,46,52)(H,47,53)(H,48,59)(H,49,60)(H,50,62)(H,51,61)(H,54,55)/t24-,25-,26-,27-,28-,29-,30-,34-/m0/s1
InChIKey: PILNVRHVUKUENI-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 |
| Mycoleptodonoides aitchisonii | Mycoleptodonoides | None | Polyporales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 883.1019999999997
TPSA？: 368.12000000000006
MolLogP？: 6.43767000000001
Number of H-Donors: 12
Number of H-Acceptors: 11
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|