Molecule

Bleomycin; Bleomycin A5, Nω-(2-Carbamoylethyl)

AlkaPlorer ID: AK048432

Synonym: Antibiotic NC 0604, NC 0604

IUPAC Name: [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[2-[4-[4-[3-[4-[(3-amino-3-oxopropyl)amino]butylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate

Structure

SMILES: CC1=C(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCC2=NC(C3=NC(C(O)=NCCCNCCCCNCCC(=N)O)=CS3)=CS2)C(C)O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(OC(=N)O)C2O)C2=CN=CN2)N=C(C(CC(=N)O)NCC(N)C(=N)O)NC1=N

InChI: InChI=1S/C60H94N20O22S2/c1-24-38(77-51(80-49(24)64)29(16-36(63)85)72-17-28(61)50(65)91)55(95)79-40(46(30-18-69-23-73-30)100-59-48(44(89)42(87)33(19-81)99-59)101-58-45(90)47(102-60(66)97)43(88)34(20-82)98-58)56(96)74-26(3)41(86)25(2)52(92)78-39(27(4)83)54(94)71-15-9-37-75-32(22-103-37)57-76-31(21-104-57)53(93)70-13-7-12-67-10-5-6-11-68-14-8-35(62)84/h18,21-23,25-29,33-34,39-48,58-59,67-68,72,81-83,86-90H,5-17,19-20,61H2,1-4H3,(H2,62,84)(H2,63,85)(H2,65,91)(H2,66,97)(H,69,73)(H,70,93)(H,71,94)(H,74,96)(H,78,92)(H,79,95)(H2,64,77,80)

InChIKey: FLEOSJSDCPKPCJ-UHFFFAOYSA-N

Reference

Isolation and Characterization of Antibiotic NC0604, a New Analogue of Bleomycin

PubChem CID: 74405818

LOTUS: LTS0144163

COCONUT: CNP0333592

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NPAtlas: NPA014943

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces verticillus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 1511.6640000000016

TPSA？: 716.3600000000002

MolLogP？: -1.6818300000000104

Number of H-Donors: 28

Number of H-Acceptors: 33

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi