CAERULEIN
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Product Description
Product
CAERULEIN
CAS
17650-98-5
Formula
C58H73N13O21S2
Typical Product Specifications
Molecular weight
1,352.42
SMILES
C1CC(N[C@@H]1C(N[C@H](C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(N[C@@H](CCSC)C(N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N)=O)=O)Cc1c[nH]c2ccccc12)=O)Cc1ccc(cc1)OS(=O)(=O)O)CCC(N)=O)=O)=O
InChI
YRALAIOMGQZKOW-HYAOXDFASA-N
InChIKey
1S/C58H73N13O21S2/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2)53(83)70
Class
CAERULEIN
Product Description
Product
CAERULEIN
CAS
17650-98-5
Formula
C58H73N13O21S2
Typical Product Specifications
Molecular weight
1,352.42
SMILES
C1CC(N[C@@H]1C(N[C@H](C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(N[C@@H](CCSC)C(N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N)=O)=O)Cc1c[nH]c2ccccc12)=O)Cc1ccc(cc1)OS(=O)(=O)O)CCC(N)=O)=O)=O
InChI
YRALAIOMGQZKOW-HYAOXDFASA-N
InChIKey
1S/C58H73N13O21S2/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2)53(83)70
Class
