NENDRATAREOTIDE UZATANSINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C83H109ClN14O20S4
Molecular Weight	1786.548
Optical Activity	UNSPECIFIED
Defined Stereocenters	17 / 17
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H]1\C=C\C=C(C)\CC2=CC(N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC[C@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](N)CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=C(O)C=C5)C(=O)N[C@H](CC6=CNC7=C6C=CC=C7)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)C(N)=O)[C@]8(C)O[C@H]8[C@H](C)[C@@H]9C[C@@]1(O)NC(=O)O9)=C(Cl)C(OC)=C2

InChI

InChIKey=JVPMJFUBODFGNB-UFDFPQQFSA-N

InChI=1S/C83H109ClN14O20S4/c1-44-18-17-24-65(115-9)83(113)39-64(116-81(112)96-83)45(2)71-82(5,118-71)66(38-68(102)98(7)62-35-50(32-44)36-63(114-8)69(62)84)117-80(111)46(3)97(6)67(101)29-31-119-120-41-59(72(87)103)92-78(109)61-43-122-121-42-60(93-73(104)54(86)33-48-19-11-10-12-20-48)77(108)90-57(34-49-25-27-52(100)28-26-49)75(106)91-58(37-51-40-88-55-22-14-13-21-53(51)55)76(107)89-56(23-15-16-30-85)74(105)95-70(47(4)99)79(110)94-61/h10-14,17-22,24-28,35-36,40,45-47,54,56-61,64-66,70-71,88,99-100,113H,15-16,23,29-34,37-39,41-43,85-86H2,1-9H3,(H2,87,103)(H,89,107)(H,90,108)(H,91,106)(H,92,109)(H,93,104)(H,94,110)(H,95,105)(H,96,112)/b24-17+,44-18+/t45-,46+,47-,54-,56+,57+,58-,59+,60+,61+,64+,65-,66+,70+,71+,82+,83+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C83H109ClN14O20S4
Molecular Weight	1786.548
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	17 / 17
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:01:30 GMT 2025` Edited by `admin` on `Tue Apr 01 17:01:30 GMT 2025`
Record UNII	L8993M383E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NENDRATAREOTIDE UZATANSINE

Official Name

English

PEN-221

Preferred Name

English

nendratareotide uzatansine [INN]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

673318