ALISPORIVIR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C63H113N11O12
Molecular Weight	1216.6378
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C1=O)C(C)C

InChI

InChIKey=OLROWHGDTNFZBH-XEMWPYQTSA-N

InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C63H113N11O12
Molecular Weight	1216.6378
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:57:28 UTC 2023` Edited by `admin` on `Sat Dec 16 17:57:28 UTC 2023`
Record UNII	VBP9099AA6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALISPORIVIR

Official Name

English

DEBIO-025

Code

English

CYCLO(L-ALANYL-D-ALANYL-N-METHYL-L-LEUCYL-N-METHYL-L-LEUCYL-N-METHYL-L-VALYL-(2S,3R,4R,6E)-3-HYDROXY-4-METHYL-2-(METHYLAMINO)-6-OCTENOYL-(2S)-2-AMINOBUTANOYL-N-METHYL-D-ALANYL-N-ETHYL-L-VALYL-L-VALYL-N-METHYL-L-LEUCYL)

Common Name

English

ALISPORIVIR [USAN]

Common Name

English

alisporivir [INN]

Common Name

English

Alisporivir [WHO-DD]

Common Name

English

UNIL025

Code

English

UNIL-025

Code

English

(D-MEALA)3-(ETVAL)4-CSA

Common Name

English

DEBIO025

Code

English

DEB-025

Code

English

DEB025

Code

English

Code System Code Type Description

USAN

YY-92