None
AlkaPlorer ID: AK322818
Synonym: None
IUPAC Name: (2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S,3S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-sulfanylpropanoic acid
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](CS)N=C(O)[C@@H](N=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)N1CCC[C@H]1C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CS)C(=O)O)C(C)C)[C@@H](C)CC
InChI: InChI=1S/C54H96N14O13S3/c1-11-29(7)40(64-46(73)35(25-82)61-50(77)42(31(9)69)66-43(70)32(55)16-13-20-58-54(56)57)51(78)68-22-15-18-38(68)48(75)65-41(30(8)12-2)52(79)67-21-14-17-37(67)47(74)60-34(24-27(3)4)45(72)63-39(28(5)6)49(76)59-33(19-23-84-10)44(71)62-36(26-83)53(80)81/h27-42,69,82-83H,11-26,55H2,1-10H3,(H,59,76)(H,60,74)(H,61,77)(H,62,71)(H,63,72)(H,64,73)(H,65,75)(H,66,70)(H,80,81)(H4,56,57,58)/t29-,30-,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
InChIKey: ICACXXAOJBSTTL-UVWUPAGQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hoplobatrachus occipitalis | Hoplobatrachus | Dicroglossidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1245.6479999999992
TPSA？: 446.7900000000001
MolLogP？: 5.032170000000015
Number of H-Donors: 16
Number of H-Acceptors: 17
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/acs.jnatprod.6b00494 |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1021/acs.jnatprod.6b00494 |
| Priestia megaterium | Priestia megaterium | Activity | nan | None | 10.1021/acs.jnatprod.6b00494 |
| Rattus norvegicus | Rattus norvegicus | Activity | nan | None | 10.1021/acs.jnatprod.6b00494 |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/acs.jnatprod.6b00494 |
| None | Unchecked | Activity | 1.0 | 10'-7M | 10.1021/acs.jnatprod.6b00494 |
| None | Unchecked | Activity | 193.0 | % | 10.1021/acs.jnatprod.6b00494 |
| None | Unchecked | Activity | 201.0 | % | 10.1021/acs.jnatprod.6b00494 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jnatprod.6b00494 |