DOTAMTATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C65H93N17O16S2
Molecular Weight	1432.668
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=CNC3=CC=CC=C23)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CC(N)=O)CCN(CC(N)=O)CCN(CC(N)=O)CC6)[C@@H](C)O

InChI

InChIKey=YXHMVRPWRYCPJP-CSBVGUNJSA-N

InChI=1S/C65H93N17O16S2/c1-38(83)56-64(96)76-51(63(95)78-57(39(2)84)65(97)98)37-100-99-36-50(75-59(91)47(28-40-10-4-3-5-11-40)71-55(89)35-82-26-24-80(33-53(68)87)22-20-79(32-52(67)86)21-23-81(25-27-82)34-54(69)88)62(94)73-48(29-41-15-17-43(85)18-16-41)60(92)74-49(30-42-31-70-45-13-7-6-12-44(42)45)61(93)72-46(58(90)77-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,70,83-85H,8-9,14,19-30,32-37,66H2,1-2H3,(H2,67,86)(H2,68,87)(H2,69,88)(H,71,89)(H,72,93)(H,73,94)(H,74,92)(H,75,91)(H,76,96)(H,77,90)(H,78,95)(H,97,98)/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C65H93N17O16S2
Molecular Weight	1432.668
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:09:32 UTC 2023` Edited by `admin` on `Sat Dec 16 15:09:32 UTC 2023`
Record UNII	J2KEK56NRS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DOTAMTATE

Common Name

English

((4R,7S,10S,13R,16S,19R)-13-((1H-INDOL-3-YL)METHYL)-10-(4-AMINOBUTYL)-16-(4-HYDROXYBENZYL)-7-((R)-1-HYDROXYETHYL)-6,9,12,15,18-PENTAOXO-19-((R)-3-PHENYL-2-(2-(4,7,10-TRIS(2-AMINO-2-OXOETHYL)-1,4,7,10-TETRAAZACYCLODODECAN-1-YL)ACETAMIDO)PROPANAMIDO)-1,2-D

Systematic Name

English

Code System Code Type Description

PUBCHEM

135228365

Created by admin on Sat Dec 16 15:09:32 UTC 2023 , Edited by admin on Sat Dec 16 15:09:32 UTC 2023

PRIMARY

CAS

2415661-92-4

Created by admin on Sat Dec 16 15:09:32 UTC 2023 , Edited by admin on Sat Dec 16 15:09:32 UTC 2023

PRIMARY

FDA UNII