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Odilorhabdin NOSO-95C

AlkaPlorer ID: AK113831

Synonym: None

IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-6-amino-1-[[(Z)-1-[[(2S)-6-amino-1-(4-aminobutylamino)-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopent-2-en-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-[(2R)-5-amino-2-[[2-[[(2S,3S)-4-amino-2-[[(2S,3S)-4-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]pentanoyl]pyrrolidine-2-carboxamide

Structure

SMILES: N=C(N)NCC/C=C(\N=C(O)[C@H](CCCCN)N=C(O)[C@H](CC1=CN=CN1)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)N=C(O)CN=C(O)[C@@H](N=C(O)[C@@H](N=C(O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)C(O)=N[C@@H](CCCCN)C(O)=NCCCCN

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InChI: InChI=1S/C54H101N23O12/c55-18-4-1-12-33(62)45(81)75-44(41(79)28-61)52(88)76-43(40(78)27-60)51(87)68-30-42(80)70-37(15-9-22-59)53(89)77-25-11-17-39(77)50(86)74-38(26-32-29-65-31-69-32)49(85)73-35(14-3-6-20-57)47(83)72-36(16-10-24-67-54(63)64)48(84)71-34(13-2-5-19-56)46(82)66-23-8-7-21-58/h16,29,31,33-35,37-41,43-44,78-79H,1-15,17-28,30,55-62H2,(H,65,69)(H,66,82)(H,68,87)(H,70,80)(H,71,84)(H,72,83)(H,73,85)(H,74,86)(H,75,81)(H,76,88)(H4,63,64,67)/b36-16-/t33-,34-,35-,37+,38-,39-,40-,41-,43-,44-/m0/s1

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InChIKey: VFODIGMPMDOVDF-SLXJRBCYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Bolla Hesperiidae Lepidoptera Insecta Arthropoda Metazoa Eukaryota

Properties Information

Molecule Weight: 1264.551

TPSA？: 652.8200000000002

MolLogP？: -1.648330000000013

Number of H-Donors: 23

Number of H-Acceptors: 22

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Enterobacter cloacae Enterobacter cloacae MIC 4.0 ug.mL-1 10.1021/acs.jmedchem.8b00790
Escherichia coli Escherichia coli IC50 630.0 nM 10.1021/acs.jmedchem.8b00790
Escherichia coli Escherichia coli MIC 4.0 ug.mL-1 10.1021/acs.jmedchem.8b00790
Escherichia coli Escherichia coli MIC 8.0 ug.mL-1 10.1021/acs.jmedchem.8b00790
Homo sapiens HepG2 Activity nan None 10.1021/acs.jmedchem.8b00790
Klebsiella pneumoniae Klebsiella pneumoniae MIC 2.0 ug.mL-1 10.1021/acs.jmedchem.8b00790
Klebsiella pneumoniae Klebsiella pneumoniae MIC 4.0 ug.mL-1 10.1021/acs.jmedchem.8b00790
Klebsiella pneumoniae Klebsiella pneumoniae MIC 8.0 ug.mL-1 10.1021/acs.jmedchem.8b00790
None Erythrocyte Activity 0.43 % 10.1021/acs.jmedchem.8b00790
None Unchecked IC50 10300.0 nM 10.1021/acs.jmedchem.8b00790
None Unchecked Ratio 16.0 None 10.1021/acs.jmedchem.8b00790

Metabolism Information