Nombre del analito

Demethylbleomycin A2 (Technical Grade)

Número CAS

41089-03-6

Fórmula molecular

C54H81N17O21S3

Peso molecular

1400.52

Masa exacta

1399.4955

SMILES

CSCCCNC(=O)c1csc(n1)c2csc(CCNC(=O)C(NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c3nc(nc(N)c3C)C(CC(=O)N)NC[C@H](N)C(=O)N)C(O[C@@H]4OC(CO)[C@@H](O)C(O)C4O[C@H]5OC(CO)[C@@H](O)C(OC(=O)N)C5O)c6c[nH]cn6)[C@@H](C)O)n2

InChI

InChI=1S/C54H81N17O21S3/c1-19-32(68-45(71-43(19)57)24(11-30(56)75)63-12-23(55)44(58)81)49(85)70-34(40(25-13-60-18-64-25)90-53-42(38(79)36(77)28(14-72)89-53)91-52-39(80)41(92-54(59)87)37(78)29(15-73)88-52)50(86)65-21(3)35(76)20(2)46(82)69-33(22(4)74)48(84)62-9-7-31-66-27(17-94-31)51-67-26(16-95-51)47(83)61-8-6-10-93-5/h13,16-18,20-24,28-29,33-42,52-53,63,72-74,76-80H,6-12,14-15,55H2,1-5H3,(H2,56,75)(H2,58,81)(H2,59,87)(H,60,64)(H,61,83)(H,62,84)(H,65,86)(H,69,82)(H,70,85)(H2,57,68,71)/t20-,21+,22+,23-,24?,28?,29?,33?,34-,35-,36+,37+,38?,39?,40?,41?,42?,52+,53-/m0/s1

IUPAC

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

Temperatura de almacenamiento

-20°C

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat

Familia API

Bleomycin Sulfate