Molecule

Propeptin-2

AlkaPlorer ID: AK325662

Synonym: None

IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[[13-(3-carbamimidamidopropyl)-19-(carboxymethyl)-5,8,12,15,18,21,24,27-octahydroxy-3,16-bis[(4-hydroxyphenyl)methyl]-22,25-bis(1H-indol-3-ylmethyl)-2-oxo-1,4,7,11,14,17,20,23,26-nonazabicyclo[26.3.0]hentriaconta-4,7,11,14,17,20,23,26-octaen-10-yl]-hydroxymethylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-3-methylpentanoic acid

Structure

SMILES: CCC(C)C(N=C(O)C(CC1=CC=CC=C1)N=C(O)C(N=C(O)C(CC1=CN=CN1)N=C(O)CN=C(O)CN=C(O)C(CC1=CC=CC=C1)N=C(O)C(CC(C)C)N=C(O)C1CC(O)=NCC(O)=NC(CC2=CC=C(O)C=C2)C(=O)N2CCCC2C(O)=NC(CC2=CNC3=CC=CC=C23)C(O)=NC(CC2=CNC3=CC=CC=C23)C(O)=NC(CC(=O)O)C(O)=NC(CC2=CC=C(O)C=C2)C(O)=NC(CCCNC(=N)N)C(O)=N1)C(C)O)C(=O)O

InChI: InChI=1S/C105H130N24O24/c1-6-57(4)89(104(152)153)127-99(147)76(41-60-21-11-8-12-22-60)126-102(150)90(58(5)130)128-100(148)79(46-65-51-108-55-115-65)116-86(135)54-113-85(134)52-114-91(139)74(40-59-19-9-7-10-20-59)120-93(141)73(39-56(2)3)119-97(145)80-47-84(133)112-53-87(136)117-82(43-62-31-35-67(132)36-32-62)103(151)129-38-18-28-83(129)101(149)125-78(45-64-50-111-71-26-16-14-24-69(64)71)96(144)122-77(44-63-49-110-70-25-15-13-23-68(63)70)95(143)124-81(48-88(137)138)98(146)121-75(42-61-29-33-66(131)34-30-61)94(142)118-72(92(140)123-80)27-17-37-109-105(106)107/h7-16,19-26,29-36,49-51,55-58,72-83,89-90,110-111,130-132H,6,17-18,27-28,37-48,52-54H2,1-5H3,(H,108,115)(H,112,133)(H,113,134)(H,114,139)(H,116,135)(H,117,136)(H,118,142)(H,119,145)(H,120,141)(H,121,146)(H,122,144)(H,123,140)(H,124,143)(H,125,149)(H,126,150)(H,127,147)(H,128,148)(H,137,138)(H,152,153)(H4,106,107,109)

InChIKey: PJLAJTRQRNGCQF-UHFFFAOYSA-N

Reference

Novel Propeptin Analog, Propeptin-2, Missing Two Amino Acid Residues from the Propeptin C-Terminus Loses Antibiotic Potency

PubChem CID: 139584173

LOTUS: LTS0080628

COCONUT: CNP0295242.1

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NPAtlas: NPA003883

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Microbispora sp.	Microbispora	Streptosporangiaceae	Streptosporangiales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 2112.3390000000004

TPSA？: 799.2000000000004

MolLogP？: 11.56827000000001

Number of H-Donors: 27

Number of H-Acceptors: 24

RingCount: 11

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi