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Dapdiamide E

AlkaPlorer ID: AK076322

Synonym: None

IUPAC Name: (2S)-2-[[(2S)-3-amino-2-[(3-carbamoyloxirane-2-carbonyl)amino]propanoyl]amino]-3-methylbutanoic acid

Structure

SMILES: CC(C)[C@H](N=C(O)[C@H](CN)N=C(O)C1OC1C(=N)O)C(=O)O

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InChI: InChI=1S/C12H20N4O6/c1-4(2)6(12(20)21)16-10(18)5(3-13)15-11(19)8-7(22-8)9(14)17/h4-8H,3,13H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t5-,6-,7?,8?/m0/s1

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InChIKey: BQMJFERCSPVSGR-LHZZQDSXSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Pantoea agglomerans Pantoea Erwiniaceae Enterobacterales Gammaproteobacteria Pseudomonadota None Bacteria

Properties Information

Molecule Weight: 316.314

TPSA？: 185.11

MolLogP？: -0.3614299999999973

Number of H-Donors: 6

Number of H-Acceptors: 6

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT006280 CC(C)[C@H](N)C(=O)O.NC[C@H](NC(=O)C1OC1C(N)=O)C(=O)O>>CC(C)[C@H](NC(=O)[C@H](CN)NC(=O)C1OC1C(N)=O)C(=O)O RXN-16294
AKRT006401 CC(C)[C@H](NC(=O)[C@H](CN)NC(=O)C1OC1C(N)=O)C(=O)O>>CC(C)[C@H](N)C(=O)O RXN-16294
AKRT006402 CC(C)[C@H](NC(=O)[C@H](CN)NC(=O)C1OC1C(N)=O)C(=O)O>>NC[C@H](NC(=O)C1OC1C(N)=O)C(=O)O RXN-16294