(2S)-2-acetamido-3-{[(4S,5R)-4-{[(3S)-2-[(2S)-3-(hydroxycarbamoyl)-2-pentylpropanoyl]-1,2-diazinan-3-yl]formamido}-5-methyl-3-oxoheptyl]sulfanyl}propanoic acid
AlkaPlorer ID: AK377930
Synonym: None
IUPAC Name: (2S)-2-acetamido-3-[(4S,5S)-4-[[(3S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]diazinane-3-carbonyl]amino]-5-methyl-3-oxoheptyl]sulfanylpropanoic acid
Structure
SMILES: CCCCC[C@H](CC(O)=NO)C(=O)N1NCCC[C@H]1C(O)=N[C@H](C(=O)CCSC[C@@H](N=C(C)O)C(=O)O)[C@@H](C)CC
InChI: InChI=1S/C27H47N5O8S/c1-5-7-8-10-19(15-23(35)31-40)26(37)32-21(11-9-13-28-32)25(36)30-24(17(3)6-2)22(34)12-14-41-16-20(27(38)39)29-18(4)33/h17,19-21,24,28,40H,5-16H2,1-4H3,(H,29,33)(H,30,36)(H,31,35)(H,38,39)/t17-,19+,20+,21-,24-/m0/s1
InChIKey: FKOLSKSZEQBBHL-DXGKXZIESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinomadura atramentaria | Actinomadura | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 601.7670000000002
TPSA？: 204.71
MolLogP？: 3.9075000000000033
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|