LONODELESTAT

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C71H111N15O19
Molecular Weight	1478.7301
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]3CCCN3C(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]5CCCN5C(=O)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC

InChI

InChIKey=JMWYNUHGKFJVIB-QGFXQWJDSA-N

InChI=1S/C71H111N15O19/c1-6-8-9-10-11-12-19-46-60(94)76-48(30-32-56(91)92)63(97)82-58(42(5)88)67(101)74-41(4)59(93)80-50(39-87)64(98)81-57(40(3)7-2)71(105)86-37-18-24-54(86)70(104)84-35-16-22-52(84)66(100)78-47(29-31-55(73)90)62(96)75-45(20-13-14-33-72)61(95)79-49(38-43-25-27-44(89)28-26-43)68(102)85-36-17-23-53(85)69(103)83-34-15-21-51(83)65(99)77-46/h25-28,40-42,45-54,57-58,87-89H,6-24,29-39,72H2,1-5H3,(H2,73,90)(H,74,101)(H,75,96)(H,76,94)(H,77,99)(H,78,100)(H,79,95)(H,80,93)(H,81,98)(H,82,97)(H,91,92)/t40-,41-,42+,45-,46-,47-,48-,49-,50-,51-,52-,53+,54-,57-,58-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C71H111N15O19
Molecular Weight	1478.7301
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:58:37 GMT 2023` Edited by `admin` on `Sat Dec 16 14:58:37 GMT 2023`
Record UNII	5SD2VOV3MF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LONODELESTAT

Official Name

English

1,13-ANHYDRO(L-ALANYL-L-SERYL-L-ISOLEUCYL-L-PROLYL-LPROLYL-L-GLUTAMINYL-L-LYSYL-L-TYROSYL-D-PROLYL-L-PROLYL-(2S)-2-AMINODECANOYL-L-.ALPHA.-GLUTAMYL-L-THREONINE)

Systematic Name

English

lonodelestat [INN]

Common Name

English

CYCLO(L-ALANYL-L-SERYL-L-ISOLEUCYL-L-PROLYL-L-PROLYL-L-GLUTAMINYL-L-LYSYL-L-TYROSYL-D-PROLYL-L-PROLYL-(2S)-2-AMINODECANOYL-L-.ALPHA.-GLUTAMYL-L-THREONYL)

Systematic Name

English

Code System Code Type Description

FDA UNII

5SD2VOV3MF