actinomycin D

Chemical Formula:

C₆₂H₈₆N₁₂O₁₆

Molecular Weight:

1255.432 Daltons

Monoisotopic Mass:

1254.6284747766 Daltons

SMILES:

CC(C)C1(C(=O)N7([CH](C(N(C)CC(N(C(C(C)C)C(=O)OC(C)C(C(N1)=O)NC(=O)C6(C=CC(C)=C2(C(N=C5(C(O2)=C(C)C(=O)C(N)=C(C(=O)NC4(C(OC(C(C(C)C)N(C)C(=O)CN(C)C(=O)[CH]3(CCCN3C(C(C(C)C)NC(=O)4)=O))=O)C))5))=6)))C)=O)=O)CCC7))

InChI:

1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1

InChIKey:

RJURFGZVJUQBHK-IIXSONLDSA-N

Synonyms

dactinomycin
actinomycin C1
Cosmegen
actinomycin IV

Databases

MetaCyc: ACTINOMYCIN-D

PubChem (CID): 457193

ChEBI: 27666

HMDB: HMDB15105

ChemSpider: 1942

KEGG: C06770

Seed: cpd04147

MetaNetX: MNXM40188

CAS: 50-76-0