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Nosiheptide

CAT: 0127-BUP05380-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05380-01Size:5 mg
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CAS Number
56377-79-8
Synonyms
RP 9671, Multhiomycin
Purity
=95%
Smiles
C\C=C1\NC(=O)C(NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)C2CSC(=O)c3[nH]c4cccc(COC(=O)C(O)CC(NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)c4c3C)-c1nc(cs1)C(=O)NC(=C)C(N)=O)C(C)O

Chemical Information

Nosiheptide

OQAOHXRUMXWDLQ-UHFFFAOYSA-N has been reported in Streptomyces actuosus with data available.

CAS Number56377-79-8
PubChem CID16130051
IUPAC NameN-(3-amino-3-oxoprop-1-en-2-yl)-2-[21-ethylidene-9,30-dihydroxy-18-(1-hydroxyethyl)-40-methyl-16,19,26,31,42,46-hexaoxo-32-oxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,53,54,55-decazanonacyclo[26.16.6.12,5.112,15.122,25.138,41.147,50.06,11.034,39]pentapentaconta-2(55),4,6,8,10,12(54),14,22(53),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxamide
Molecular FormulaC51H43N13O12S6
Molecular Weight1222.4
XLogP4.1
Topological Polar Surface Area552
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count24
Rotatable Bond Count5
Heavy Atom Count82
Formal Charge0
Complexity2510
SMILES
CC=C1C2=NC(=CS2)C(=O)NC3CC(C(=O)OCC4=C5C(=C(C(=O)SCC(C6=NC(=CS6)C7=NC(=C(C=C7C8=NC(=CS8)C(=O)NC(C(=O)N1)C(C)O)O)C9=NC(=CS9)C(=O)NC(=C)C(=O)N)NC(=O)C1=CSC3=N1)NC5=CC=C4)C)O
InChI
InChI=1S/C51H43N13O12S6/c1-5-23-46-60-28(14-79-46)41(70)56-25-10-33(67)50(74)76-11-21-7-6-8-24-34(21)18(2)35(54-24)51(75)82-17-31(57-42(71)29-15-80-47(25)61-29)48-58-26(12-78-48)37-22(45-59-30(13-77-45)43(72)64-36(20(4)65)44(73)55-23)9-32(66)38(63-37)49-62-27(16-81-49)40(69)53-19(3)39(52)68/h5-9,12-16,20,25,31,33,36,54,65-67H,3,10-11,17H2,1-2,4H3,(H2,52,68)(H,53,69)(H,55,73)(H,56,70)(H,57,71)(H,64,72)
InChIKey
OQAOHXRUMXWDLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nosiheptide
CAS: 56377-79-8
CID: 16130051
Formula: C51H43N13O12S6
MW: 1222.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1222.4
XLogP34.1
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count24
Rotatable Bond Count5
Exact Mass1221.14784090
Monoisotopic Mass1221.14784090
Topological Polar Surface Area552 Ų
Heavy Atom Count82
Formal Charge0
Complexity2510
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C3169-5Nosiheptide
HY-107486R-01Nosiheptide (Standard)
MBS9421087-01Recombinant Streptomyces actuosus Nosiheptide precursor
CSB-EP509748FNT-01Recombinant Streptomyces actuosus Nosiheptide precursor (nosM)
AP71212-01Recombinant Streptomyces actuosus Nosiheptide precursor(nosM)

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