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Actinomycin V

CAT: 0926-AA65679-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-AA65679-03Size:10 mg
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CAS Number
18865-48-0
MDL Number
MFCD00076115
Smiles
CC1C (C (=O) NC (C (=O) N2CCCC2C (=O) N (CC (=O) N (C (C (=O) O1) C (C) C) C) C) C (C) C) NC (=O) C3=C4C (=C (C=C3) C) OC5=C (C (=O) C (=C (C5=N4) C (=O) NC6C (OC (=O) C (N (C (=O) CN (C (=O) C7CC (=O) CN7C (=O) C (NC6=O) C (C) C) C) C) C (C) C) C) N) C
Molecular Formula
C62H84N12O17
Molecular Weight
1,269.4 g/mol
Controlled
No

Chemical Information

Actinomycin X2

actinomycin X2 has been reported in Streptomyces antibioticus and Streptomyces heliomycini with data available.

CAS Number18865-48-0
PubChem CID159855
IUPAC Name2-amino-4,6-dimethyl-3-oxo-1-N-[7,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-9-N-[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
Molecular FormulaC62H84N12O17
Molecular Weight1269.4
XLogP2.8
Topological Polar Surface Area373
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count19
Rotatable Bond Count8
Heavy Atom Count91
Formal Charge0
Complexity3120
SMILES
CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CC(=O)CN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C
InChI
InChI=1S/C62H84N12O17/c1-26(2)42-59(85)73-21-17-18-36(73)57(83)69(13)24-38(76)71(15)48(28(5)6)61(87)89-32(11)44(55(81)65-42)67-53(79)35-20-19-30(9)51-46(35)64-47-40(41(63)50(78)31(10)52(47)91-51)54(80)68-45-33(12)90-62(88)49(29(7)8)72(16)39(77)25-70(14)58(84)37-22-34(75)23-74(37)60(86)43(27(3)4)66-56(45)82/h19-20,26-29,32-33,36-37,42-45,48-49H,17-18,21-25,63H2,1-16H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)
InChIKey
GQZJMUMSSGCVFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Actinomycin X2
CAS: 18865-48-0
CID: 159855
Formula: C62H84N12O17
MW: 1269.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1269.4
XLogP32.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count19
Rotatable Bond Count8
Exact Mass1268.60773926
Monoisotopic Mass1268.60773926
Topological Polar Surface Area373 Ų
Heavy Atom Count91
Formal Charge0
Complexity3120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS651300-01Actinomycin D (Streptomyces antibioticus, Dactinomycin, Actinomycin IV, Actinomycin C1)
A4448-5.1Actinomycin D
MBS3847782-01Actinomycin X2
sc-507379Actinomycin V
440947-01Actinomycin C

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