Coralmycin E
AlkaPlorer ID: AK119239
Synonym: None
IUPAC Name: 4-[[4-[[4-[[(2S,3R)-4-amino-2-[(4-aminobenzoyl)amino]-3-methoxy-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoic acid
Structure
SMILES: CO[C@@H](C(=N)O)[C@H](NC(=O)C1=CC=C(N)C=C1)C(=O)NC1=CC=C(C(=O)NC2=CC=C(C(O)=NC3=CC=C(C(=O)O)C=C3OC(C)C)C(O)=C2OC(C)C)C=C1
InChI: InChI=1S/C39H42N6O11/c1-19(2)55-29-18-23(39(52)53)10-16-27(29)43-37(50)26-15-17-28(32(31(26)46)56-20(3)4)44-35(48)22-8-13-25(14-9-22)42-38(51)30(33(54-5)34(41)47)45-36(49)21-6-11-24(40)12-7-21/h6-20,30,33,46H,40H2,1-5H3,(H2,41,47)(H,42,51)(H,43,50)(H,44,48)(H,45,49)(H,52,53)/t30-,33+/m0/s1
InChIKey: LAOBDMPGTQWUAL-BZKUTMRRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Corallococcus coralloides | Corallococcus | Myxococcaceae | Myxococcales | Myxococcia | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 770.7960000000002
TPSA？: 275.21
MolLogP？: 5.422970000000005
Number of H-Donors: 9
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|