VEDOTIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII Q3606FDE0B

Structure

InChI Key IEDXPSOJFSVCKU-HOKPPMCLSA-N
Smiles CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)CCC2=O)C(C)C)cc1)C(C)C
InChI
InChI=1S/C68H107N11O15/c1-15-43(8)59(51(92-13)38-55(83)78-37-23-27-50(78)61(93-14)44(9)62(85)71-45(10)60(84)47-24-18-16-19-25-47)76(11)66(89)57(41(4)5)75-65(88)58(42(6)7)77(12)68(91)94-39-46-29-31-48(32-30-46)72-63(86)49(26-22-35-70-67(69)90)73-64(87)56(40(2)3)74-52(80)28-20-17-21-36-79-53(81)33-34-54(79)82/h16,18-19,24-25,29-32,40-45,49-51,56-61,84H,15,17,20-23,26-28,33-39H2,1-14H3,(H,71,85)(H,72,86)(H,73,87)(H,74,80)(H,75,88)(H3,69,70,90)/t43-,44+,45+,49-,50-,51+,56-,57-,58-,59-,60+,61+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C68H107N11O15
Molecular Weight 1318.67

Cross References

Resources Reference
ChEMBL CHEMBL4594216
FDA SRS Q3606FDE0B
SureChEMBL SCHEMBL18932836
CONTENTS