None

AlkaPlorer ID: AK560118

Synonym: None

IUPAC Name: (2R,6S,7R)-6-amino-2-[[(2S)-3-amino-2-[[(3R)-3-amino-3-hydroxypropanoyl]-[(2S)-3-amino-2-phenylpropanoyl]amino]propanoyl]amino]-9-[[2-[3-[4-(diaminomethylideneamino)butylamino]propylamino]acetyl]amino]-7-hydroxy-9-oxononanoic acid

Structure

SMILES: N=C(N)NCCCCNCCCNCC(=O)N=C(O)C[C@@H](O)[C@@H](N)CCC[C@@H](N=C(O)[C@H](CN)N(C(=O)C[C@H](N)O)C(=O)[C@H](CN)C1=CC=CC=C1)C(=O)O

copy

InChI: InChI=1S/C34H60N12O9/c35-18-22(21-8-2-1-3-9-21)32(53)46(30(51)17-27(38)48)25(19-36)31(52)44-24(33(54)55)11-6-10-23(37)26(47)16-28(49)45-29(50)20-42-14-7-13-41-12-4-5-15-43-34(39)40/h1-3,8-9,22-27,41-42,47-48H,4-7,10-20,35-38H2,(H,44,52)(H,54,55)(H4,39,40,43)(H,45,49,50)/t22-,23+,24-,25+,26-,27-/m1/s1

copy

InChIKey: WMAKHNPKGVNAJY-DDURVGIBSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Brevibacillus brevis Brevibacillus Paenibacillaceae Bacillales Bacilli Bacillota None Bacteria

Properties Information

Molecule Weight: 780.9290000000001

TPSA: 387.43

MolLogP: -2.947430000000007

Number of H-Donors: 14

Number of H-Acceptors: 14

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information