(2S)-3-{[(4S,5S)-4-{[(3S)-2-[(2R)-3-carbamoyl-2-pentylpropanoyl]-1,2-diazinan-3-yl]formamido}-5-methyl-3-oxoheptyl]sulfanyl}-2-acetamidopropanoic acid
AlkaPlorer ID: AK128038
Synonym: None
IUPAC Name: (2S)-2-acetamido-3-[(4S,5S)-4-[[(3S)-2-[(2R)-2-(2-amino-2-oxoethyl)heptanoyl]diazinane-3-carbonyl]amino]-5-methyl-3-oxoheptyl]sulfanylpropanoic acid
Structure
SMILES: CCCCC[C@H](CC(=N)O)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/C27H47N5O7S/c1-5-7-8-10-19(15-23(28)35)26(37)32-21(11-9-13-29-32)25(36)31-24(17(3)6-2)22(34)12-14-40-16-20(27(38)39)30-18(4)33/h17,19-21,24,29H,5-16H2,1-4H3,(H2,28,35)(H,30,33)(H,31,36)(H,38,39)/t17-,19+,20+,21-,24-/m0/s1
InChIKey: PFUWJTIKMOLFOQ-DXGKXZIESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinomadura atramentaria | Actinomadura | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 585.7680000000003
TPSA？: 195.97
MolLogP？: 4.097070000000003
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|