OMIGANAN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C90H127N27O12
Molecular Weight	1779.1451
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CNC5=C4C=CC=C5)C(=O)N[C@@H](CC6=CNC7=C6C=CC=C7)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CC9=CNC%10=C9C=CC=C%10)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O

InChI

InChIKey=MVPAMLBUDIFYGK-BHDRXCTLSA-N

InChI=1S/C90H127N27O12/c1-5-51(4)75(92)85(127)113-68(41-50(2)3)80(122)109-67(32-18-38-102-90(98)99)79(121)114-71(44-54-48-105-62-27-12-8-23-58(54)62)86(128)116-39-19-34-74(116)84(126)112-70(43-53-47-104-61-26-11-7-22-57(53)61)82(124)115-72(45-55-49-106-63-28-13-9-24-59(55)63)87(129)117-40-20-33-73(117)83(125)111-69(42-52-46-103-60-25-10-6-21-56(52)60)81(123)110-66(31-17-37-101-89(96)97)78(120)108-65(30-16-36-100-88(94)95)77(119)107-64(76(93)118)29-14-15-35-91/h6-13,21-28,46-51,64-75,103-106H,5,14-20,29-45,91-92H2,1-4H3,(H2,93,118)(H,107,119)(H,108,120)(H,109,122)(H,110,123)(H,111,125)(H,112,126)(H,113,127)(H,114,121)(H,115,124)(H4,94,95,100)(H4,96,97,101)(H4,98,99,102)/t51-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C90H127N27O12
Molecular Weight	1779.1451
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:19:18 UTC 2023` Edited by `admin` on `Sat Dec 16 01:19:18 UTC 2023`
Record UNII	618SLL9VBS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OMIGANAN

Official Name

English

L-LYSINAMIDE, L-ISOLEUCYL-L-LEUCYL-L-ARGINYL-L-TRYPTOPHYL-L-PROLYL-L-TRYPTOPHYL-L-TRYPTOPHYL-L-PROLYL-L-TRYPTOPHYL-L-ARGINYL-L-ARGINYL-

Common Name

English

OMIGANAN [MI]

Common Name

English

omiganan [INN]

Common Name

English

Code System Code Type Description

DRUG BANK

DB06610