SATOREOTIDE TRIZOXETAN

Details

Stereochemistry	EPIMERIC
Molecular Formula	C73H95ClN18O21S2
Molecular Weight	1660.226
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]2(CC1=CC=C(NC(N)=O)C=C1)NC(=O)[C@H](CC3=CC=C(NC(=O)[C@@H]4CC(=O)NC(=O)N4)C=C3)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)C(=O)N[C@H](CC5=CC=C(O)C=C5)C(N)=O)NC(=O)[C@H](CC6=CC=C(Cl)C=C6)NC(=O)CCC(N7CCN(CC(O)=O)CCN(CC(O)=O)CC7)C(O)=O

InChI

InChIKey=MDDXVKPIPNUPBG-FDKGEFSASA-N

InChI=1S/C73H95ClN18O21S2/c1-39(93)61-70(109)86-55(68(107)82-49(62(76)101)30-43-11-19-47(94)20-12-43)38-115-114-37-54(85-65(104)50(31-40-5-13-44(74)14-6-40)80-57(95)22-21-56(71(110)111)92-28-26-90(35-59(97)98)24-25-91(27-29-92)36-60(99)100)69(108)84-52(33-41-7-15-45(16-8-41)78-64(103)53-34-58(96)88-73(113)87-53)67(106)83-51(32-42-9-17-46(18-10-42)79-72(77)112)66(105)81-48(63(102)89-61)4-2-3-23-75/h5-20,39,48-56,61,93-94H,2-4,21-38,75H2,1H3,(H2,76,101)(H,78,103)(H,80,95)(H,81,105)(H,82,107)(H,83,106)(H,84,108)(H,85,104)(H,86,109)(H,89,102)(H,97,98)(H,99,100)(H,110,111)(H3,77,79,112)(H2,87,88,96,113)/t39-,48+,49-,50+,51-,52+,53+,54-,55+,56?,61+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C73H95ClN18O21S2
Molecular Weight	1660.226
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	5
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:25:11 GMT 2023` Edited by `admin` on `Sat Dec 16 11:25:11 GMT 2023`
Record UNII	3M7TX701A4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SATOREOTIDE TRIZOXETAN

Official Name

English

OPS-202

Code

English

S2,S7-CYCLO(N-((4RS)-4-(4,7-BIS(CARBOXYMETHYL)-1,4,7-TRIAZONAN-1-YL)-4-CARBOXYBUTANOYL)-4-CHLORO-L-PHENYLALANYL-D-CYSTEINYL-4-((4S)-2,6-DIOXO-1,3-DIAZINANE-4-CARBOXAMIDO)-L-PHENYLALANYL-4-(CARBAMOYLAMINO)-D-PHENYLALANYL-L-LYSYL-L-THREONYL-L-CYSTEINYL-D-T

Systematic Name

English

OPS202

Code

English

JR-11-NODAGA

Code

English

satoreotide trizoxetan [INN]

Common Name

English

NODAGA-JR11

Code

English

D-TYROSINAMIDE, N-(4-(4,7-BIS(CARBOXYMETHYL)OCTAHYDRO-1H-1,4,7-TRIAZONIN-1-YL)-4-CARBOXY-1-OXOBUTYL)-4-CHLORO-L-PHENYLALANYL-D-CYSTEINYL-4-((((4S)-HEXAHYDRO-2,6-DIOXO-4-PYRIMIDINYL)CARBONYL)AMINO)-L-PHENYLALANYL-4-((AMINOCARBONYL)AMINO)-D-PHENYLALANYL-L-

Systematic Name

English

Code System Code Type Description

PUBCHEM

119058041