BAY-86-4367 F-18

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C66H94FN17O20S2
Molecular Weight	1527.685
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)CN(C)C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCNC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)C4=CC(C#N)=C([18F])C=C4)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O

InChI

InChIKey=BOCGKBPJKDHUME-SCRJELLHSA-N

InChI=1S/C66H94FN17O20S2/c1-34(2)21-46(52(85)26-55(88)77-47(58(70)90)22-35(3)4)79-64(96)49(25-41-29-71-33-74-41)78-56(89)30-84(8)66(98)57(36(5)6)83-59(91)37(7)75-63(95)48(24-40-28-73-44-14-10-9-13-42(40)44)80-62(94)45(18-19-53(69)86)76-54(87)15-11-12-20-72-61(93)50(31-105(99,100)101)82-65(97)51(32-106(102,103)104)81-60(92)38-16-17-43(67)39(23-38)27-68/h9-10,13-14,16-17,23,28-29,33-37,45-52,57,73,85H,11-12,15,18-22,24-26,30-32H2,1-8H3,(H2,69,86)(H2,70,90)(H,71,74)(H,72,93)(H,75,95)(H,76,87)(H,77,88)(H,78,89)(H,79,96)(H,80,94)(H,81,92)(H,82,97)(H,83,91)(H,99,100,101)(H,102,103,104)/t37-,45-,46-,47-,48-,49-,50-,51-,52-,57-/m0/s1/i67-1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

BAY-86-4367 F-18

Code

English

BAY-86-4367

Preferred Name

English

L-LEUCINAMIDE, N-(3-CYANO-4-(FLUORO-18F)BENZOYL)-3-SULFO-L-ALANYL-3-SULFO-L-ALANYL-5-AMINOPENTANOYL-L-GLUTAMINYL-L-TRYPTOPHYL-L-ALANYL-L-VALYL-N-METHYLGLYCYL-L-HISTIDYL-(3S,4S)-4-AMINO-3-HYDROXY-6-METHYLHEPTANOYL-

Systematic Name

English

(18F)BAY-86-4367

Common Name

English

(2R)-3-(((1R)-2-((5-(((1S)-4-AMINO-1-(((1S)-2-(((1S)-2-(((1S)-1-((2-(((1S)-2-(((1S,2S)-4-(((1S)-1-CARBAMOYL-3-METHYL-BUTYL)AMINO)-2-HYDROXY-1-ISOBUTYL-4-OXO-BUTYL)AMINO)-1-(1H-IMIDAZOL-5-YLMETHYL)-2-OXO-ETHYL)AMINO)-2-OXO-ETHYL)-METHYL-CARBAMOYL)-2-METHY

Systematic Name

English

Code System Code Type Description

CAS

1443772-78-8

Created by admin on Tue Apr 01 17:06:59 GMT 2025 , Edited by admin on Tue Apr 01 17:06:59 GMT 2025

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SMS_ID

300000042370

Created by admin on Tue Apr 01 17:06:59 GMT 2025 , Edited by admin on Tue Apr 01 17:06:59 GMT 2025

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FDA UNII

M5HDR29ZUG

Created by admin on Tue Apr 01 17:06:59 GMT 2025 , Edited by admin on Tue Apr 01 17:06:59 GMT 2025

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PUBCHEM

155923141

Created by admin on Tue Apr 01 17:06:59 GMT 2025 , Edited by admin on Tue Apr 01 17:06:59 GMT 2025

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ACTIVE MOIETY


					M5HDR29ZUG

BAY-86-4367 F-18