CAS 1414-45-5 MFCD00131724-(Z)-(2-(2-(2-(2-(2-(14-((1H-imidazol-5-yl)methyl)-7-(6-amino-2-(2-(4-amino-2-(21-(6-amino-2-(10-(15-(2-(2-amino-3-methylpentanamido)but-2-enamido)-12-(sec-butyl)-6-isobutyl-9-methylene-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetraazacyclohexadecane-3-carboxam 乳酸链球菌素 TAO{mole}

(Z)-(2-(2-(2-(2-(2-(14-((1H-imidazol-5-yl)methyl)-7-(6-amino-2-(2-(4-amino-2-(21-(6-amino-2-(10-(15-(2-(2-amino-3-methylpentanamido)but-2-enamido)-12-(sec-butyl)-6-isobutyl-9-methylene-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetraazacyclohexadecane-3-carboxam 乳酸链球菌素

CAS 1414-45-5 MFCD00131724

化学结构图

SMILES: C/C=C(\NC(=O)[C@H](N)[C@H](C)CC)/C(=O)N[C@@H]1CSC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)C(=C)NC(=O)[C@@H](NC1=O)[C@H](C)CC)C(=O)N[C@H]1[C@@H](C)SC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@H](CCCCN)C(=O)N[C@@H]1[C@H](C)SC[C@H](NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CCSC)C(=O)N[C@H](CCCCN)C(=O)N[C@@H]1[C@H](C)SC[C@H]2NC(=O)[C@H](NC(=O)[C@H](C)NC1=O)[C@@H](C)SC[C@@H](NC(=O)[C@H](Cc1c[n]c[nH]1)NC2=O)C(=O)N[C@H](CO)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@@H](Cc1c[n]c[nH]1)C(=O)N[C@H](C(C)C)C(=O)NC(=C)C(=O)N[C@@H](CCCCN)C(O)=O

化学属性

Mol. Weight	3354.07
Mol. Formula	C143H230N42O37S7
Melting Point	>230°C
Boiling Point

别名和识别编码

MDL Number	MFCD00131724
CAS Number	1414-45-5
PubChem Substance ID	24897751
EC Number	215-807-5
Synonym	L-Isoleucyl-(Z)-2,3-didehydro-2-aminobutanoyl-D-cysteinyl-L-isoleucyl-2,3-didehydroalanyl-L-leucyl-L-cysteinyl-threo-3-mercapto-D-2-aminobutanoyl-L-prolylglycyl-L-cysteinyl-L-lysyl-threo-3-mercapto-D-2-aminobutanoylglycyl-L-alanyl-L-leucyl-L-methionylglycyl-L-cysteinyl-L-asparaginyl-L-methionyl-L-lysyl-threo-3-mercapto-D-2-aminobutanoyl-L-alanyl-threo-3-mercapto-D-2-aminobutanoyl-L-cysteinyl-L-histidyl-L-cysteinyl-L-seryl-L-isoleucyl-L-histidyl-L-valyl-2,3-didehydroalanyl-L-lysine cyclic (3->7),(8->11),(13->19),(23->26),(25->28)-pentakis(sulfide) NSC-112903 Nisin A, Technical grade (~2.5% mainly sodium chloride and denatured milk solids) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Chemical Name	(Z)-(2-(2-(2-(2-(2-(14-((1H-imidazol-5-yl)methyl)-7-(6-amino-2-(2-(4-amino-2-(21-(6-amino-2-(10-(15-(2-(2-amino-3-methylpentanamido)but-2-enamido)-12-(sec-butyl)-6-isobutyl-9-methylene-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetraazacyclohexadecane-3-carboxam
Chemical Name Translation	乳酸链球菌素
InChIKey	NVNLLIYOARQCIX-GSJOZIGCSA-N
LabNetwork Molecule ID	LN02184035
Canonical SMILES	CCC(C)C(N)C(=O)NC(=CC)C(=O)NC1CSCC(NC(=O)C(CC(C)C)NC(=O)C(=C)NC(=O)C(NC1=O)C(C)CC)C(=O)NC2C(C)SCC(NC(=O)CNC(=O)C3CCCN3C2=O)C(=O)N[C@H](CCCCN)C(=O)NC4C(C)SCC(NC(=O)CNC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC4=O)C(=O)NC(CC(=O)N)C(=O)N[C@H](CCSC)C(=O)N[C@H](CCCCN)C(=O)NC5C(C)SCC6NC(=O)C(NC(=O)C(C)NC5=O)C(C)SCC(NC(=O)C(Cc7cnc[nH]7)NC6=O)C(=O)N[C@H](CO)C(=O)N[C@H](C(C)CC)C(=O)N[C@@H](Cc8cnc[nH]8)C(=O)NC(C(C)C)C(=O)NC(=C)C(=O)NC(CCCCN)C(=O)O

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安全信息

WGK Germany3

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Safety Statements

S22 Do not breathe dust 不要吸入粉尘；
S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

Storage condition -20 -20°C -20℃ 储存温度2-8°C

RTECSQU3340000

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2250 ug/kg
TOXIC EFFECTS :
   Brain and Coverings - meningeal changes
   Brain and Coverings - changes in cerebral spinal fluid
   Behavioral - irritability
REFERENCE :
   BJPCAL British Journal of Pharmacology and Chemotherapy.  (London, UK)
   V.1-33, 1946-68.  For publisher information, see BJPCBM.
   Volume(issue)/page/year: 7,438,1952

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- ,  Berdy, J., Boca
   Raton, FL, CRC Press, 1980-  Volume(issue)/page/year: 4(2),228,1980