AMADOTIN

Details

Stereochemistry	EPIMERIC
Molecular Formula	C58H93N11O13S
Molecular Weight	1184.49
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@@]1([H])[C@]([H])(OC)[C@@H](C)C(=O)N[C@@H](CC2=CNC3=C2C=CC=C3)C(N)=O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCCC(=O)NNC(=O)CCCCCN4C(=O)CC(SC[C@H](N)C(O)=O)C4=O)C(C)C

InChI

InChIKey=ZCZQNDCUMLBKAG-MPVKSFTFSA-N

InChI=1S/C58H93N11O13S/c1-12-35(6)51(43(81-10)29-47(72)68-27-18-22-42(68)52(82-11)36(7)54(75)62-41(53(60)74)28-37-31-61-40-21-16-15-20-38(37)40)67(9)57(78)49(33(2)3)63-55(76)50(34(4)5)66(8)25-19-24-46(71)65-64-45(70)23-14-13-17-26-69-48(73)30-44(56(69)77)83-32-39(59)58(79)80/h15-16,20-21,31,33-36,39,41-44,49-52,61H,12-14,17-19,22-30,32,59H2,1-11H3,(H2,60,74)(H,62,75)(H,63,76)(H,64,70)(H,65,71)(H,79,80)/t35-,36+,39-,41-,42-,43+,44?,49-,50-,51-,52+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C58H93N11O13S
Molecular Weight	1184.49
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:36:19 GMT 2023` Edited by `admin` on `Sat Dec 16 14:36:19 GMT 2023`
Record UNII	GM8IDC1W3H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AMADOTIN

Common Name

English

L-TRYPTOPHANAMIDE, N-(4-(2-(6-(3-(((2R)-2-AMINO-2-CARBOXYETHYL)THIO)-2,5-DIOXO-1-PYRROLIDINYL)-1-OXOHEXYL)HYDRAZINYL)-4-OXOBUTYL)-N-METHYL-L-VALYL-L-VALYL-(3R,4S,5S)-3-METHOXY-5-METHYL-4-(METHYLAMINO)HEPTANOYL-(.ALPHA.R,.BETA.R,2S)-.BETA.-METHOXY-.ALPHA.

Systematic Name

English

Code System Code Type Description

CAS

1404212-75-4

Created by admin on Sat Dec 16 14:36:19 GMT 2023 , Edited by admin on Sat Dec 16 14:36:19 GMT 2023

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FDA UNII

GM8IDC1W3H

Created by admin on Sat Dec 16 14:36:19 GMT 2023 , Edited by admin on Sat Dec 16 14:36:19 GMT 2023

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PUBCHEM

89428116

Created by admin on Sat Dec 16 14:36:19 GMT 2023 , Edited by admin on Sat Dec 16 14:36:19 GMT 2023

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