Curvacin A
AlkaPlorer ID: AK051496
Synonym: None
IUPAC Name: N-[2-[[1-[[1-[[1-[[4-amino-1-[(4-amino-1,4-dioxobutan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]butanediamide
Structure
SMILES: CC(N)C(O)=NC(CS)C(O)=NC(CO)C(O)=NC(CC1=CC=C(O)C=C1)C(O)=NCC(O)=NC(CC(=N)O)C(O)=NCC(O)=NC(C(O)=NC(CC1=CC=C(O)C=C1)C(O)=NC(CS)C(O)=NC(CC(=N)O)C(O)=NC(C=O)CC(=N)O)C(C)C
InChI: InChI=1S/C51H73N15O18S2/c1-23(2)42(51(84)62-31(13-26-6-10-29(70)11-7-26)47(80)65-36(22-86)49(82)61-33(16-39(55)73)46(79)58-27(19-67)14-37(53)71)66-41(75)18-57-45(78)32(15-38(54)72)59-40(74)17-56-44(77)30(12-25-4-8-28(69)9-5-25)60-48(81)34(20-68)63-50(83)35(21-85)64-43(76)24(3)52/h4-11,19,23-24,27,30-36,42,68-70,85-86H,12-18,20-22,52H2,1-3H3,(H2,53,71)(H2,54,72)(H2,55,73)(H,56,77)(H,57,78)(H,58,79)(H,59,74)(H,60,81)(H,61,82)(H,62,84)(H,63,83)(H,64,76)(H,65,80)(H,66,75)
InChIKey: ZIOYVSHKEKTSEY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Lactobacillus | Lactobacillaceae | Lactobacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1248.366
TPSA？: 594.5100000000002
MolLogP？: 3.552010000000016
Number of H-Donors: 23
Number of H-Acceptors: 21
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|