None
AlkaPlorer ID: AK322820
Synonym: None
IUPAC Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[(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]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoic acid
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[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@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=N[C@H](C(O)=N[C@@H](CS)C(O)=N[C@@H](CC1=CC=CC=C1)C(=O)O)C(C)C
InChI: InChI=1S/C57H92N14O13S2/c1-8-31(5)43(66-48(75)38(29-86)64-52(79)45(33(7)72)68-46(73)35(58)19-13-23-61-57(59)60)54(81)70-25-15-21-40(70)50(77)67-44(32(6)9-2)55(82)71-26-16-22-41(71)53(80)69-24-14-20-39(69)49(76)65-42(30(3)4)51(78)63-37(28-85)47(74)62-36(56(83)84)27-34-17-11-10-12-18-34/h10-12,17-18,30-33,35-45,72,85-86H,8-9,13-16,19-29,58H2,1-7H3,(H,62,74)(H,63,78)(H,64,79)(H,65,76)(H,66,75)(H,67,77)(H,68,73)(H,83,84)(H4,59,60,61)/t31-,32-,33+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
InChIKey: QVTCFZQRQRMABT-LFDRXKFDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hoplobatrachus occipitalis | Hoplobatrachus | Dicroglossidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1245.5819999999992
TPSA？: 434.5100000000001
MolLogP？: 4.14157000000001
Number of H-Donors: 15
Number of H-Acceptors: 16
RingCount: 4
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'-6M | 10.1021/acs.jnatprod.6b00494 |
| None | Unchecked | Activity | 1.0 | 10'-8M | 10.1021/acs.jnatprod.6b00494 |
| None | Unchecked | Activity | 163.0 | % | 10.1021/acs.jnatprod.6b00494 |
| None | Unchecked | Activity | 289.3 | % | 10.1021/acs.jnatprod.6b00494 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jnatprod.6b00494 |