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Lydicamycin

CAT: 0926-AL184016-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-AL184016-02Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
133352-27-9
Smiles
O=C1NCC (O) =C1C (=O) C2 (C) C (C (=CC3C (O) C (O) CCC32) C) CCC (C) C (O) C (=CCC (O) C=CC (C) C (O) C=CCC (O) C (=CCC (O) CC4N (C (=N) N) CCC4) C) C
Molecular Formula
C47H74N4O10
Molecular Weight
855.11 g/mol
Controlled
No

Chemical Information

Lydicamycin

Lydicamycin is a pyrroline.

CAS Number133352-27-9
PubChem CID66753317
IUPAC Name2-[(4E,8E,12E,16E)-21-[(1R,2R,4aR,5S,6R,8aR)-1-[(2,4-dioxopyrrolidin-3-ylidene)-hydroxymethyl]-5,6-dihydroxy-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-2,6,10,14,18-pentahydroxy-5,11,17,19-tetramethylhenicosa-4,8,12,16-tetraenyl]pyrrolidine-1-carboximidamide
Molecular FormulaC47H74N4O10
Molecular Weight855.1
XLogP3.6
Topological Polar Surface Area261
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Heavy Atom Count61
Formal Charge0
Complexity1740
SMILES
CC1=C[C@@H]2[C@@H](CC[C@H]([C@H]2O)O)[C@@]([C@@H]1CCC(C)C(/C(=C/CC(/C=C/C(C)C(/C=C/CC(/C(=C/CC(CC3CCCN3C(=N)N)O)/C)O)O)O)/C)O)(C)C(=C4C(=O)CNC4=O)O
InChI
InChI=1S/C47H74N4O10/c1-26(37(54)10-7-11-38(55)27(2)13-18-33(53)24-31-9-8-22-51(31)46(48)49)12-16-32(52)17-14-28(3)42(58)29(4)15-19-35-30(5)23-34-36(20-21-39(56)43(34)59)47(35,6)44(60)41-40(57)25-50-45(41)61/h7,10,12-14,16,23,26,29,31-39,42-43,52-56,58-60H,8-9,11,15,17-22,24-25H2,1-6H3,(H3,48,49)(H,50,61)/b10-7+,16-12+,27-13+,28-14+,44-41?/t26?,29?,31?,32?,33?,34-,35-,36-,37?,38?,39-,42?,43+,47+/m1/s1
InChIKey
HNSRCWWMQWCNGW-FRZGMMNISA-N
Chemical Structure
2D Structure
2D structure of Lydicamycin
CAS: 133352-27-9
CID: 66753317
Formula: C47H74N4O10
MW: 855.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight855.1
XLogP33.6
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Exact Mass854.54049457
Monoisotopic Mass854.54049457
Topological Polar Surface Area261 Ų
Heavy Atom Count61
Formal Charge0
Complexity1740
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-125414Lydicamycin
A2297-38MAntibiotic TPU-0037-A (30-Demethyl-lydicamycin)
A2297-38NAntibiotic TPU-0037-C (8-Dehydroxy-30-demethyl-lydicamycin)

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