SATOREOTIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C58H72ClN15O14S2
Molecular Weight	1302.867
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CC=C(NC(N)=O)C=C2)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](NC1=O)C(=O)N[C@H](CC5=CC=C(O)C=C5)C(N)=O)NC(=O)[C@@H](N)CC6=CC=C(Cl)C=C6)[C@@H](C)O

InChI

InChIKey=LBGAPPKREFCCSH-ADPPPVLCSA-N

InChI=1S/C58H72ClN15O14S2/c1-29(75)47-56(86)71-45(54(84)67-40(48(62)78)23-33-11-19-37(76)20-12-33)28-90-89-27-44(70-49(79)38(61)22-30-5-13-34(59)14-6-30)55(85)69-42(25-31-7-15-35(16-8-31)64-51(81)43-26-46(77)73-58(88)72-43)53(83)68-41(24-32-9-17-36(18-10-32)65-57(63)87)52(82)66-39(50(80)74-47)4-2-3-21-60/h5-20,29,38-45,47,75-76H,2-4,21-28,60-61H2,1H3,(H2,62,78)(H,64,81)(H,66,82)(H,67,84)(H,68,83)(H,69,85)(H,70,79)(H,71,86)(H,74,80)(H3,63,65,87)(H2,72,73,77,88)/t29-,38+,39+,40-,41-,42+,43+,44-,45+,47+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C58H72ClN15O14S2
Molecular Weight	1302.867
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	4
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:36:31 UTC 2023` Edited by `admin` on `Sat Dec 16 17:36:31 UTC 2023`
Record UNII	S58172SSTS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SATOREOTIDE

Official Name

English

S2,S7-CYCLO(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-TYROSINAMIDE)

Systematic Name

English

D-TYROSINAMIDE, 4-CHLORO-L-PHENYLALANYL-D-CYSTEINYL-4-((((4S)-HEXAHYDRO-2,6-DIOXO4-PYRIMIDINYL)CARBONYL)AMINO)-L-PHENYLALANYL-4-((AMINOCARBONYL)AMINO)-D-PHENYLALANYL-L-LYSYL-L-THREONYL-L-CYSTEINYL-, CYCLIC (2->7)-DISULFIDE

Systematic Name

English

satoreotide [INN]

Common Name

English

Code System Code Type Description

EVMPD

SUB188662