ELISIDEPSIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C75H124N14O16
Molecular Weight	1477.8713
Optical Activity	UNSPECIFIED
Defined Stereocenters	17 / 17
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@](NC(=O)[C@H](NC(=O)CC[C@@H](C)CC)C(C)C)([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@]1([H])C(=O)N[C@@H](CCCN)C(=O)N[C@]([H])([C@@H](C)CC)C(=O)N[C@@H]2[C@@H](C)OC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](NC(=O)[C@]([H])(NC2=O)[C@@H](C)CC)C(C)C)=C\C)C(C)C

InChI

InChIKey=ZNVCPJPCKSJWDH-UCTDCHLSSA-N

InChI=1S/C75H124N14O16/c1-20-43(15)33-34-53(91)80-54(38(5)6)68(97)87-61(46(18)90)72(101)82-56(40(9)10)69(98)83-57(41(11)12)74(103)89-36-28-32-52(89)66(95)78-50(31-27-35-76)64(93)85-59(44(16)21-2)71(100)88-62-47(19)105-75(104)58(42(13)14)84-63(92)49(23-4)77-65(94)51(37-48-29-25-24-26-30-48)79-67(96)55(39(7)8)81-70(99)60(45(17)22-3)86-73(62)102/h23-26,29-30,38-47,50-52,54-62,90H,20-22,27-28,31-37,76H2,1-19H3,(H,77,94)(H,78,95)(H,79,96)(H,80,91)(H,81,99)(H,82,101)(H,83,98)(H,84,92)(H,85,93)(H,86,102)(H,87,97)(H,88,100)/b49-23-/t43-,44-,45-,46+,47+,50-,51-,52+,54+,55+,56-,57+,58-,59+,60+,61-,62+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C75H124N14O16
Molecular Weight	1477.8713
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	17 / 17
E/Z Centers	6
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:39:07 UTC 2023` Edited by `admin` on `Sat Dec 16 01:39:07 UTC 2023`
Record UNII	0FWR494EC9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ELISIDEPSIN

Official Name

English

elisidepsin [INN]

Common Name

English

ELISIDEPSIN [MI]

Common Name

English

L-VALINE, N-((4S)-4-METHYL-1-OXOHEXYL)-D-VALYL-L-THREONYL-L-VALYL-D-VALYL-D-PROLYL-L-ORNITHYL-D-ALLOISOLEUCYL-D-ALLOTHREONYL-D-ALLOISOLEUCYL-D-VALYL-L-PHENYLALANYL-(2Z)-2-AMINO-2-BUTENOYL-, (13-8)-LACTONE

Common Name

English

N-((4S)-4-METHYL-1-OXOHEXYL)-D-VALYL-L-THREONYL-L-VALYL-D-VALYL-D-PROLYL-L-ORNITHYL-D-ALLOISOLEUCYL-D-ALLOTHREONYL-D-ALLOISOLEUCYL-D-VALYL-L-PHENYLALANYL-(2Z)-2-AMINO-2-BUTENONYL-L-VALINE (13->8)-LACTONE

Common Name

English

1-(N-((4S)-4-METHYL-1-OXOHEXYL)-D-VALINE)KAHALALIDE F

Common Name

English

Elisidepsin [WHO-DD]

Common Name

English

ISOKAHALALIDE F

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1976